| 1 | M | 38.3 | Very low | 40.7 | Very low | 229 Ų | 229 | 161.9 Ų | 161.9 | 100% | 1.128 | 86% | 0.862 | S | S | * | * | | | | 0 | 123.3 | 0 | -72.4 | 174.9 | -176 | 0 | 0 | 106.1 | | |
| 2 | M | 40.9 | Very low | 41.4 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | | | cis | -158.1 | 135.3 | 0.1 | -79.2 | 166.3 | -177.2 | 0 | 0 | 104.1 | | |
| 3 | F | 37.3 | Very low | 41.7 | Very low | 225 Ų | 225 | 153.2 Ų | 153.2 | 99% | 0.987 | 84% | 0.842 | S | S | * | * | | | trans | -99.9 | 119.9 | 162 | -81.2 | -83.4 | 0 | 0 | 0 | 107.2 | | |
| 4 | T | 47.3 | Very low | 42 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | | | trans | -121.9 | 116.4 | 169.2 | 50 | 0 | 0 | 0 | 0 | 104.8 | | |
| 5 | A | 39.5 | Very low | 42.6 | Very low | 88 Ų | 88 | 155.3 Ų | 155.3 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | | | | 123.2 | 113.7 | 63.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 6 | F | 42.3 | Very low | 42 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 91% | 0.908 | 84% | 0.843 | S | S | * | * | | | trans | -132.2 | 105.2 | 160.3 | -80 | -73.6 | 0 | 0 | 0 | 107 | | |
| 7 | N | 43.6 | Very low | 42.5 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | | | trans | -163.7 | 98 | 164.3 | -111.3 | -44 | 0 | 0 | 0 | 108.7 | | |
| 8 | T | 41.2 | Very low | 42.2 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | | | trans | -168.1 | 126.8 | 166.9 | 46.1 | 0 | 0 | 0 | 0 | 102.4 | | |
| 9 | E | 35.7 | Very low | 41.9 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | cis | 179 | 135.9 | 28.1 | -168.5 | 162.2 | 156.2 | 0 | 0 | 105.5 | | |
| 10 | C | 39.9 | Very low | 42 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 95% | 0.946 | 83% | 0.833 | S | S | * | * | | | trans | -163.7 | 97.3 | 150.7 | -113.1 | 0 | 0 | 0 | 0 | 108 | | |
| 11 | D | 42.2 | Very low | 42.6 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | | | trans | -77 | 157.2 | -169.2 | -161.5 | 4.9 | 0 | 0 | 0 | 112.6 | | |
| 12 | S | 48.4 | Very low | 42.8 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | trans | -95.9 | 135.2 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 13 | S | 46 | Very low | 42.7 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | | | trans | -171.2 | 115.2 | 150.4 | -99.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 14 | S | 44.8 | Very low | 43 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | | | | 91 | 103.2 | 78.6 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 15 | R | 52.2 | Low | 42.3 | Very low | 241 Ų | 241 | 134.2 Ų | 134.2 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | | 66.6 | 115.8 | 102.6 | -77.7 | -175 | 150.3 | -167.2 | -5.9 | 115.1 | | |
| 16 | C | 33.1 | Very low | 42.5 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 95% | 0.946 | 82% | 0.821 | S | S | * | * | | | trans | -163.6 | 133.4 | 131.5 | -102.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 17 | S | 49.2 | Very low | 42.3 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -72.1 | 163.2 | 174.3 | -47 | 0 | 0 | 0 | 0 | 112.7 | | |
| 18 | T | 37.8 | Very low | 41.9 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | | | | 174.8 | 130.5 | 121.7 | -172.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 19 | A | 36.8 | Very low | 42 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | | | trans | 44.1 | 127.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 20 | S | 44 | Very low | 42.7 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -60.7 | 167.3 | 151.5 | -46.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 21 | P | 53.6 | Low | 42.6 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | | -140.6 | 153.9 | 100.8 | 36.8 | -23.4 | 0 | 0 | 0 | 115 | | |
| 22 | S | 42.9 | Very low | 43.2 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -66.8 | 145.9 | 159.8 | -38.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 23 | G | 39.8 | Very low | 43.2 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -158.4 | 100.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 24 | D | 41.8 | Very low | 42.6 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -72.2 | 129.3 | 164.2 | -66 | -57 | 0 | 0 | 0 | 110.6 | | |
| 25 | N | 34.6 | Very low | 42.1 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -171.9 | 125.2 | 132.4 | -129.8 | -101 | 0 | 0 | 0 | 114.6 | | |
| 26 | L | 41.7 | Very low | 41.2 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | 12.6 | 120.3 | 137.6 | -112.9 | 68.7 | 0 | 0 | 0 | 118.8 | | |
| 27 | G | 39.1 | Very low | 41.2 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -148.6 | 77.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 28 | Y | 36.1 | Very low | 40.6 | Very low | 212 Ų | 212 | 129.8 Ų | 129.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -63.6 | 122.1 | 169.7 | -160.7 | -96.5 | 0 | 0 | 0 | 109.2 | P30 | Y28-P30 HydrophobicContact CE1-CG 4.38Š|
| 29 | Y | 41.3 | Very low | 40.6 | Very low | 222 Ų | 222 | 131.2 Ų | 131.2 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | | | trans | -142.8 | 122.1 | 158 | -139.5 | -89.7 | 0 | 0 | 0 | 110.9 | | |
| 30 | P | 52.4 | Low | 40.3 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 49% | 0.487 | 80% | 0.803 | S | S | . | * | | | trans | -97.4 | 142.6 | 179.6 | 35.3 | -29.1 | 0 | 0 | 0 | 112.9 | Y28 | Y28-P30 HydrophobicContact CE1-CG 4.38Š|
| 31 | S | 37.6 | Very low | 39.8 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | 64.5 | 155.1 | 142.2 | -67.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 32 | P | 54.3 | Low | 39.4 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | | -140.6 | 171.8 | 50.6 | 26.8 | -0.2 | 0 | 0 | 0 | 118.2 | | |
| 33 | P | 48.6 | Very low | 39.2 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -92 | 159 | -165 | 37.3 | -32 | 0 | 0 | 0 | 113 | | |
| 34 | G | 33.7 | Very low | 38.9 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | -160 | 97.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 35 | S | 33 | Very low | 39.2 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | 55.7 | 102.9 | 142.7 | -56 | 0 | 0 | 0 | 0 | 119.8 | | |
| 36 | Y | 33.5 | Very low | 39.3 | Very low | 233 Ų | 233 | 138 Ų | 138 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | | | | -141.9 | 126 | 114 | 62.5 | -88.7 | 0 | 0 | 0 | 109.9 | | |
| 37 | S | 34 | Very low | 39 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -100.3 | 148.3 | 173.9 | -77.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 38 | S | 34.9 | Very low | 39.1 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | 68.5 | 132.8 | 151.4 | -100.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 39 | L | 39.6 | Very low | 39.3 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | cis | -148.9 | 142.9 | 45.2 | -63.5 | 159.5 | 0 | 0 | 0 | 108 | | |
| 40 | G | 30.7 | Very low | 39.3 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | | 89.4 | 104.3 | 90.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 41 | S | 33.2 | Very low | 38.8 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | -35.8 | 167.4 | 167.1 | -75.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 42 | P | 44.6 | Very low | 39 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | cis | -145.2 | 166.5 | 28.1 | 39.8 | -18.3 | 0 | 0 | 0 | 118.3 | | |
| 43 | Q | 37.7 | Very low | 38.5 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | 37.2 | 103.6 | 134.9 | -164 | 167.1 | 7 | 0 | 0 | 119.5 | | |
| 44 | S | 35.4 | Very low | 38.4 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -144.4 | 107.5 | 141.4 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 45 | Q | 47.3 | Very low | 38.8 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -63 | 157 | 148.5 | -74.1 | 171.1 | -35 | 0 | 0 | 107.3 | | |
| 46 | E | 37 | Very low | 39.4 | Very low | 188 Ų | 188 | 131 Ų | 131 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | 99.7 | 68.8 | 173.8 | -152.3 | 169.6 | -140.5 | 0 | 0 | 115.1 | | |
| 47 | F | 34.4 | Very low | 39.9 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -170.9 | 73.4 | 140.2 | -130.7 | -108.3 | 0 | 0 | 0 | 110.4 | L50 | F47-L50 HydrophobicContact CD1-CB 4.22Å; F47-L50 HydrophobicContact CD1-CD1 4.2Å; F47-L50 HydrophobicContact CE1-CB 3.75Å; F47-L50 HydrophobicContact CE1-CD1 3.18Å; F47-L50 HydrophobicContact CE1-CG 4.05Å; F47-L50 HydrophobicContact CE2-CD1 4.08Å; F47-L50 HydrophobicContact CZ-CD1 3.12Å; F47-L50 HydrophobicContact CZ-CG 4.38Å |
| 48 | T | 42.7 | Very low | 40.7 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -110.1 | -0.4 | 173.7 | -47.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 49 | D | 38.5 | Very low | 41.1 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -100.6 | 3.6 | -172.8 | -79.6 | -14.5 | 0 | 0 | 0 | 116.3 | | |
| 50 | L | 42.8 | Very low | 41.9 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -113.6 | 4 | -179 | -81.8 | 156.5 | 0 | 0 | 0 | 115.1 | F47 | F47-L50 HydrophobicContact CD1-CB 4.22Å; F47-L50 HydrophobicContact CD1-CD1 4.2Å; F47-L50 HydrophobicContact CE1-CB 3.75Å; F47-L50 HydrophobicContact CE1-CD1 3.18Å; F47-L50 HydrophobicContact CE1-CG 4.05Å; F47-L50 HydrophobicContact CE2-CD1 4.08Å; F47-L50 HydrophobicContact CZ-CD1 3.12Å; F47-L50 HydrophobicContact CZ-CG 4.38Å |
| 51 | S | 42.2 | Very low | 42.9 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -106.1 | 14.4 | 175.2 | -153.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 52 | A | 41.8 | Very low | 44.1 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -88.2 | -11.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S54 | A52-S54 VanDerWaalsContact C-N 3.35Å; A52-S54 PolarHBondContact O-N 3.01Å |
| 53 | S | 42.9 | Very low | 44.4 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 2.6 | -178.3 | -91.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 54 | S | 46.3 | Very low | 45.2 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 10.2 | 174.4 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | A52 S56 | A52-S54 VanDerWaalsContact C-N 3.35Å; A52-S54 PolarHBondContact O-N 3.01Å; S54-S56 PolarHBondContact O-N 3.15Å |
| 55 | A | 42.5 | Very low | 46.1 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -69.5 | 101.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F57 | A55-F57 PolarHBondContact O-N 3.37Š|
| 56 | S | 44.9 | Very low | 46.5 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | | | trans | -0.3 | 105.9 | 158.2 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | S54 I58 | S54-S56 PolarHBondContact O-N 3.15Å; S56-I58 PolarHBondContact O-N 2.92Å |
| 57 | F | 45.3 | Very low | 47.3 | Very low | 209 Ų | 209 | 115.5 Ų | 115.5 | 92% | 0.917 | 71% | 0.706 | S | S | * | * | | | trans | -64.6 | 84.3 | 169.1 | -124.8 | -93.6 | 0 | 0 | 0 | 108.2 | A55 P59 | A55-F57 PolarHBondContact O-N 3.37Å; F57-P59 WeakPolarHBondContact O-CD 3.46Å |
| 58 | I | 49.2 | Very low | 48.9 | Very low | 124 Ų | 124 | 112.6 Ų | 112.6 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | trans | -78.5 | 118.7 | 168.7 | -60 | 171.9 | 0 | 0 | 0 | 105.1 | S56 T60 | S56-I58 PolarHBondContact O-N 2.92Å; I58-T60 PolarHBondContact O-N 3.15Å |
| 59 | P | 43.4 | Very low | 50.1 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | | | trans | -67.4 | 99.7 | 176.8 | -12.4 | 26.8 | 0 | 0 | 0 | 108.7 | F57 V61 | F57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-V61 PolarHBondContact O-N 3.28Å |
| 60 | T | 56.2 | Low | 51.4 | Low | 104 Ų | 104 | 107.2 Ų | 107.2 | 64% | 0.638 | 67% | 0.67 | S | S | * | * | | | trans | -67.8 | 113.3 | 170.3 | -45 | 0 | 0 | 0 | 0 | 107.7 | I58 T62 | I58-T60 PolarHBondContact O-N 3.15Å; T60-T62 VanDerWaalsContact CG2-OG1 3.28Å; T60-T62 WeakPolarHBondContact CG2-OG1 3.44Å; T60-T62 PolarHBondContact O-N 3.46Å |
| 61 | V | 52.5 | Low | 52.2 | Low | 122 Ų | 122 | 107.9 Ų | 107.9 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -63.1 | 1.6 | -172.5 | -171.8 | 0 | 0 | 0 | 0 | 113.6 | P59 | P59-V61 PolarHBondContact O-N 3.28Š|
| 62 | T | 58.3 | Low | 53.3 | Low | 120 Ų | 120 | 111 Ų | 111 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -87.6 | -6.2 | -177 | 42.8 | 0 | 0 | 0 | 0 | 115.3 | T60 | T60-T62 VanDerWaalsContact CG2-OG1 3.28Å; T60-T62 WeakPolarHBondContact CG2-OG1 3.44Å; T60-T62 PolarHBondContact O-N 3.46Å |
| 63 | A | 51.8 | Low | 54.4 | Low | 92 Ų | 92 | 111.8 Ų | 111.8 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -90.2 | -3.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 64 | I | 53.1 | Low | 55.4 | Low | 86 Ų | 86 | 109.9 Ų | 109.9 | 44% | 0.441 | 64% | 0.64 | S | S | . | * | | | trans | -103.4 | 72.1 | -178.8 | -40.3 | 175.3 | 0 | 0 | 0 | 109.7 | L70 | I64-L70 HydrophobicContact CG2-CB 4.12Å; I64-L70 HydrophobicContact CG2-CD1 3.26Å; I64-L70 HydrophobicContact CG2-CG 4.31Å |
| 65 | S | 55.4 | Low | 55.9 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | | | trans | -151.5 | 46.6 | 177.1 | -172.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 66 | T | 54.3 | Low | 56.7 | Low | 142 Ų | 142 | 114.2 Ų | 114.2 | 87% | 0.871 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -135.8 | 0.4 | 165.3 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 67 | S | 55.2 | Low | 57.3 | Low | 54 Ų | 54 | 117.9 Ų | 117.9 | 38% | 0.378 | 66% | 0.657 | S | S | . | * | | | trans | -101.2 | 125.4 | 173.7 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | D69 L70 | S67-D69 PolarHBondContact O-N 3.46Å; S67-D69 VanDerWaalsContact O-N 3.07Å; S67-L70 PolarHBondContact O-N 3.41Å; S67-L70 WeakPolarHBondContact OG-CD1 3.34Å; S67-L70 WeakPolarHBondContact OG-CG 3.38Å |
| 68 | P | 67.4 | Low | 57.5 | Low | 106 Ų | 106 | 114.4 Ų | 114.4 | 69% | 0.688 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -10 | 179.7 | 24.4 | -31.9 | 0 | 0 | 0 | 113.7 | Q71 | P68-Q71 VanDerWaalsContact O-CG 3.32Å; P68-Q71 WeakPolarHBondContact O-CG 3.47Å; P68-Q71 PolarHBondContact O-NE2 2.99Å |
| 69 | D | 68 | Low | 57.4 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 65% | 0.647 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -12.7 | 178.3 | -165.1 | 40.5 | 0 | 0 | 0 | 113.5 | S67 W72 | S67-D69 PolarHBondContact O-N 3.46Å; S67-D69 VanDerWaalsContact O-N 3.07Å; D69-W72 PolarHBondContact O-NE1 2.91Å |
| 70 | L | 65.3 | Low | 57.3 | Low | 51 Ų | 51 | 113.9 Ų | 113.9 | 27% | 0.267 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -102.1 | 0.7 | -180 | -54.2 | 178.5 | 0 | 0 | 0 | 113 | I64 S67 W72 M73 | I64-L70 HydrophobicContact CG2-CB 4.12Å; I64-L70 HydrophobicContact CG2-CD1 3.26Å; I64-L70 HydrophobicContact CG2-CG 4.31Å; S67-L70 PolarHBondContact O-N 3.41Å; S67-L70 WeakPolarHBondContact OG-CD1 3.34Å; S67-L70 WeakPolarHBondContact OG-CG 3.38Å; L70-W72 PolarHBondContact O-N 2.86Å; L70-W72 VanDerWaalsContact O-N 3.16Å; L70-M73 HydrophobicContact CB-CE 3.91Å; L70-M73 HydrophobicContact CD1-CE 4.34Å; L70-M73 HydrophobicContact CD2-CE 3.47Å; L70-M73 VanDerWaalsContact CD2-CE 3.47Å; L70-M73 HydrophobicContact CG-CE 4.06Å; L70-M73 WeakPolarHBondContact O-CB 3.29Å; L70-M73 PolarHBondContact O-N 3.08Å |
| 71 | Q | 60.7 | Low | 56.5 | Low | 144 Ų | 144 | 115 Ų | 115 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -24.9 | 177.8 | 68.3 | -178.1 | -43.5 | 0 | 0 | 113.7 | P68 M73 | P68-Q71 VanDerWaalsContact O-CG 3.32Å; P68-Q71 WeakPolarHBondContact O-CG 3.47Å; P68-Q71 PolarHBondContact O-NE2 2.99Å; Q71-M73 VanDerWaalsContact C-N 3.3Å |
| 72 | W | 65.6 | Low | 56.1 | Low | 168 Ų | 168 | 113.8 Ų | 113.8 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -20.6 | 176.7 | 63.5 | -96.1 | 0 | 0 | 0 | 112.9 | D69 L70 | D69-W72 PolarHBondContact O-NE1 2.91Å; L70-W72 PolarHBondContact O-N 2.86Å; L70-W72 VanDerWaalsContact O-N 3.16Å |
| 73 | M | 63.8 | Low | 55.1 | Low | 98 Ų | 98 | 114 Ų | 114 | 48% | 0.483 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -23.1 | 177.3 | -73.1 | -165.9 | -55.5 | 0 | 0 | 113.2 | L70 Q71 | L70-M73 HydrophobicContact CB-CE 3.91Å; L70-M73 HydrophobicContact CD1-CE 4.34Å; L70-M73 HydrophobicContact CD2-CE 3.47Å; L70-M73 VanDerWaalsContact CD2-CE 3.47Å; L70-M73 HydrophobicContact CG-CE 4.06Å; L70-M73 WeakPolarHBondContact O-CB 3.29Å; L70-M73 PolarHBondContact O-N 3.08Å; Q71-M73 VanDerWaalsContact C-N 3.3Å |
| 74 | V | 63.3 | Low | 55 | Low | 87 Ų | 87 | 113.7 Ų | 113.7 | 53% | 0.527 | 67% | 0.668 | S | S | . | * | | | trans | -105.8 | 69.6 | 179.8 | -167.1 | 0 | 0 | 0 | 0 | 108.5 | P76 | V74-P76 WeakPolarHBondContact O-CD 3.45Š|
| 75 | Q | 58.1 | Low | 54.9 | Low | 158 Ų | 158 | 117.9 Ų | 117.9 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | | | trans | -90 | 112.3 | 163.2 | -80 | -177.3 | -8.3 | 0 | 0 | 108.4 | L77 | Q75-L77 PolarHBondContact O-N 3.17Š|
| 76 | P | 59 | Low | 54.2 | Low | 109 Ų | 109 | 123.8 Ų | 123.8 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | | | trans | -62.8 | 111.1 | 172.5 | -16.7 | 30 | 0 | 0 | 0 | 108.8 | V74 V78 | V74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-V78 HydrophobicContact CB-CG2 4.43Å; P76-V78 PolarHBondContact O-N 3.44Å |
| 77 | L | 58.3 | Low | 53.7 | Low | 167 Ų | 167 | 121.7 Ų | 121.7 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | | | trans | -78.3 | 63 | 174.1 | -154.8 | 89.7 | 0 | 0 | 0 | 109.8 | Q75 S79 | Q75-L77 PolarHBondContact O-N 3.17Å; L77-S79 PolarHBondContact O-N 3.38Å |
| 78 | V | 48.8 | Very low | 52.9 | Low | 135 Ų | 135 | 127.4 Ų | 127.4 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | | | trans | -91.7 | 88.5 | 162.6 | -78.9 | 0 | 0 | 0 | 0 | 108.2 | P76 | P76-V78 HydrophobicContact CB-CG2 4.43Å; P76-V78 PolarHBondContact O-N 3.44Å |
| 79 | S | 47.8 | Very low | 52.3 | Low | 118 Ų | 118 | 127.8 Ų | 127.8 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | | | trans | -83.5 | 105.8 | 167.4 | -162.2 | 0 | 0 | 0 | 0 | 108.6 | L77 | L77-S79 PolarHBondContact O-N 3.38Š|
| 80 | S | 40.6 | Very low | 51 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | | | trans | -168.7 | 125.2 | 158.7 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 81 | V | 39.3 | Very low | 50 | Low | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | 61.8 | 115 | 166.1 | 179.9 | 0 | 0 | 0 | 0 | 117 | P83 | V81-P83 WeakPolarHBondContact O-CD 3.38Š|
| 82 | A | 43.8 | Very low | 49.3 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 129.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 83 | P | 38.2 | Very low | 48 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 121.9 | 153.3 | -12.5 | 31.5 | 0 | 0 | 0 | 110.1 | V81 | V81-P83 WeakPolarHBondContact O-CD 3.38Š|
| 84 | S | 49.7 | Very low | 47.8 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 154 | 169 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 85 | H | 49.8 | Very low | 46.8 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | 81.7 | 93.4 | 165.5 | -46.8 | -76.4 | 0 | 0 | 0 | 118.9 | | |
| 86 | R | 40.9 | Very low | 46.8 | Very low | 228 Ų | 228 | 139.7 Ų | 139.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | | -159 | 116.1 | 128.5 | -118.9 | 178.6 | -167.9 | -176.5 | 4.1 | 111.1 | | |
| 87 | A | 43.3 | Very low | 46.2 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -72.2 | 129.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 88 | H | 40 | Very low | 45.6 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | | | trans | -89.1 | 126 | 168.7 | -71.9 | -78.5 | 0 | 0 | 0 | 109.3 | | |
| 89 | P | 54 | Low | 45.6 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | | | trans | -95.9 | 97.3 | -178.8 | 34.4 | -25.5 | 0 | 0 | 0 | 108.9 | | |
| 90 | Y | 41.6 | Very low | 45.6 | Very low | 225 Ų | 225 | 146.7 Ų | 146.7 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | | | trans | -176.6 | 81.5 | 144.7 | -122.5 | -91.7 | 0 | 0 | 0 | 109.1 | | |
| 91 | T | 42.5 | Very low | 45.8 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -146.8 | 86.3 | 156.8 | -43.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 92 | S | 47.1 | Very low | 45.8 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -124.8 | 99.5 | 166.9 | -66.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 93 | R | 39.1 | Very low | 46.2 | Very low | 238 Ų | 238 | 147.9 Ų | 147.9 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | -155.4 | 118.7 | 144.9 | -165.9 | 154.8 | 148.8 | -144.9 | -6.2 | 110.6 | | |
| 94 | P | 59.3 | Low | 46.5 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -100.8 | 132.3 | 171.9 | 34.4 | -24.9 | 0 | 0 | 0 | 110.6 | | |
| 95 | S | 41.8 | Very low | 46.3 | Very low | 116 Ų | 116 | 152.9 Ų | 152.9 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -171.9 | 155.6 | 152.8 | -108.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 96 | P | 57.6 | Low | 46.2 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | | -122.4 | -177.9 | -125.1 | 27 | -4.4 | 0 | 0 | 0 | 113.1 | | |
| 97 | A | 46.3 | Very low | 46.8 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | | | trans | 82.5 | 89.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 98 | Y | 45.8 | Very low | 46.9 | Very low | 224 Ų | 224 | 146.3 Ų | 146.3 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | | | | -174.5 | 129.5 | 119.8 | -75.9 | -63 | 0 | 0 | 0 | 107.2 | R100 | Y98-R100 PolarHBondContact O-N 2.98Š|
| 99 | P | 48.4 | Very low | 47.2 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -77 | 97.5 | 175.5 | 31.1 | -29.8 | 0 | 0 | 0 | 108.6 | | |
| 100 | R | 49.3 | Very low | 47.2 | Very low | 238 Ų | 238 | 149.6 Ų | 149.6 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | | | trans | -89 | 119.2 | 157.5 | -111 | -176.9 | -177.3 | -163 | 1.8 | 107.8 | Y98 A102 | Y98-R100 PolarHBondContact O-N 2.98Å; R100-A102 PolarHBondContact O-N 3.23Å |
| 101 | S | 43.7 | Very low | 47.4 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | trans | -53.6 | 100.8 | 171.6 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | M103 | S101-M103 PolarHBondContact O-N 2.87Š|
| 102 | A | 40.8 | Very low | 47.8 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | | | trans | -76.7 | 100.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | R100 K104 | R100-A102 PolarHBondContact O-N 3.23Å; A102-K104 PolarHBondContact O-N 3.42Å; A102-K104 VanDerWaalsContact O-N 3.07Å |
| 103 | M | 51.1 | Low | 47.9 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | | | trans | -65.2 | 106.5 | 167.3 | -63.5 | -79.6 | 163.8 | 0 | 0 | 107.3 | S101 S105 | S101-M103 PolarHBondContact O-N 2.87Å; M103-S105 PolarHBondContact O-N 3.48Å; M103-S105 VanDerWaalsContact O-N 3.15Å |
| 104 | K | 45.6 | Very low | 48.5 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | trans | -64.4 | 109.2 | 173.9 | -59.9 | 176.3 | -172 | -179.2 | 0 | 108 | A102 A106 | A102-K104 PolarHBondContact O-N 3.42Å; A102-K104 VanDerWaalsContact O-N 3.07Å; K104-A106 PolarHBondContact O-N 3.47Å; K104-A106 VanDerWaalsContact O-N 3.07Å |
| 105 | S | 44.9 | Very low | 48.2 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -74.7 | 94.6 | 167.5 | 64.8 | 0 | 0 | 0 | 0 | 108.6 | M103 T107 | M103-S105 PolarHBondContact O-N 3.48Å; M103-S105 VanDerWaalsContact O-N 3.15Å; S105-T107 PolarHBondContact O-N 2.91Å |
| 106 | A | 46.4 | Very low | 48.6 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -78.5 | 110.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | K104 T108 | K104-A106 PolarHBondContact O-N 3.47Å; K104-A106 VanDerWaalsContact O-N 3.07Å; A106-T108 PolarHBondContact O-N 2.82Å |
| 107 | T | 53.4 | Low | 48.4 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | trans | -62.7 | 119.5 | 165.9 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | S105 | S105-T107 PolarHBondContact O-N 2.91Š|
| 108 | T | 45.3 | Very low | 48.2 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -173.4 | 134.4 | 132.7 | 10.3 | 0 | 0 | 0 | 0 | 111.6 | A106 | A106-T108 PolarHBondContact O-N 2.82Š|
| 109 | R | 48.1 | Very low | 48.4 | Very low | 236 Ų | 236 | 149 Ų | 149 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | -73.5 | -166.2 | -174.5 | -57.4 | -179 | 171.7 | -156.6 | -1.2 | 112 | | |
| 110 | P | 52.6 | Low | 48.5 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | | -119.9 | 154.6 | -55.4 | 30.6 | -14.4 | 0 | 0 | 0 | 111.3 | | |
| 111 | H | 45.9 | Very low | 48.5 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | trans | -143.6 | 114.3 | 162.6 | -163.4 | -91.3 | 0 | 0 | 0 | 111.6 | | |
| 112 | I | 51.3 | Low | 48.8 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | trans | -61.2 | 144.4 | 166.6 | -74.9 | 162 | 0 | 0 | 0 | 109.4 | | |
| 113 | S | 49.3 | Very low | 49.7 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 54% | 0.538 | 74% | 0.743 | S | S | . | * | S | Bend | trans | 78.7 | 117.7 | 161.8 | 77.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 114 | T | 52.2 | Low | 50.8 | Low | 126 Ų | 126 | 139.4 Ų | 139.4 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | | | trans | 52.3 | 83.7 | 132.5 | 59.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 115 | K | 52.1 | Low | 52.3 | Low | 212 Ų | 212 | 137.2 Ų | 137.2 | 92% | 0.922 | 73% | 0.73 | S | S | * | * | | | trans | -102.5 | 97.1 | 141.7 | -82.5 | -173.8 | 175.8 | 178.4 | 0 | 109.1 | G117 | K115-G117 PolarHBondContact O-N 3.17Š|
| 116 | R | 51.4 | Low | 54.1 | Low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.906 | 72% | 0.719 | S | S | * | * | | | trans | -41.7 | 132.9 | 157.9 | -67.8 | 178.1 | 179.1 | -134.9 | 0.4 | 109 | | |
| 117 | G | 53 | Low | 56.1 | Low | 63 Ų | 63 | 137.8 Ų | 137.8 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | | | trans | 44.3 | 79.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | K115 V119 | K115-G117 PolarHBondContact O-N 3.17Å; G117-V119 PolarHBondContact O-N 2.89Å |
| 118 | R | 40.8 | Very low | 57.8 | Low | 192 Ų | 192 | 135.4 Ų | 135.4 | 73% | 0.725 | 68% | 0.683 | S | S | * | * | | | trans | -72.8 | 84.7 | 137.7 | -161.3 | -175.7 | -159.7 | -105.8 | -9.7 | 105.5 | E120 | R118-E120 HydrophobicContact CG-CB 4.2Å; R118-E120 IonicContact CZ-OE1 2.64Å; R118-E120 IonicContact CZ-OE2 3.38Å; R118-E120 IonicContact NE-OE2 2.78Å; R118-E120 PolarHBondContact NE-OE2 3.32Å; R118-E120 IonicContact NH1-OE1 2.88Å; R118-E120 PolarHBondContact NH1-OE1 3.35Å; R118-E120 IonicContact NH1-OE2 2.8Å; R118-E120 PolarHBondContact NH1-OE2 3.18Å; R118-E120 IonicContact NH2-OE1 2.83Å; R118-E120 PolarHBondContact NH2-OE1 2.88Å; R118-E120 IonicContact NH2-OE2 3.12Å; R118-E120 PolarHBondContact NH2-OE2 2.9Å; R118-E120 PolarHBondContact O-N 3.42Å |
| 119 | V | 51.8 | Low | 60.1 | Low | 133 Ų | 133 | 134.7 Ų | 134.7 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | | | trans | -67.2 | 57.5 | 165.1 | -178.5 | 0 | 0 | 0 | 0 | 107 | G117 | G117-V119 PolarHBondContact O-N 2.89Š|
| 120 | E | 49.9 | Very low | 62.2 | Low | 108 Ų | 108 | 128.6 Ų | 128.6 | 51% | 0.505 | 65% | 0.646 | S | S | . | * | | | trans | -90.4 | 101.2 | 158.6 | -140.8 | 120.5 | 132 | 0 | 0 | 103.9 | R118 I122 | R118-E120 HydrophobicContact CG-CB 4.2Å; R118-E120 IonicContact CZ-OE1 2.64Å; R118-E120 IonicContact CZ-OE2 3.38Å; R118-E120 IonicContact NE-OE2 2.78Å; R118-E120 PolarHBondContact NE-OE2 3.32Å; R118-E120 IonicContact NH1-OE1 2.88Å; R118-E120 PolarHBondContact NH1-OE1 3.35Å; R118-E120 IonicContact NH1-OE2 2.8Å; R118-E120 PolarHBondContact NH1-OE2 3.18Å; R118-E120 IonicContact NH2-OE1 2.83Å; R118-E120 PolarHBondContact NH2-OE1 2.88Å; R118-E120 IonicContact NH2-OE2 3.12Å; R118-E120 PolarHBondContact NH2-OE2 2.9Å; R118-E120 PolarHBondContact O-N 3.42Å; E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 2.97Å |
| 121 | Q | 49.6 | Very low | 64.2 | Low | 186 Ų | 186 | 129.6 Ų | 129.6 | 87% | 0.869 | 63% | 0.634 | S | S | * | * | | | trans | -10.1 | 83 | 158.7 | -57.6 | 179.1 | 43.6 | 0 | 0 | 112.5 | S123 | Q121-S123 PolarHBondContact O-N 2.91Å; Q121-S123 VanDerWaalsContact O-N 3.13Å |
| 122 | I | 48.8 | Very low | 66.6 | Low | 70 Ų | 70 | 124 Ų | 124 | 36% | 0.359 | 61% | 0.609 | S | S | . | * | | | trans | -64.3 | 114 | 151.9 | -63.1 | 144.6 | 0 | 0 | 0 | 100.9 | E120 E126 E127 R130 | E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 2.97Å; I122-E126 HydrophobicContact CG2-CB 3.42Å; I122-E126 VanDerWaalsContact CG2-CB 3.42Å; I122-E127 HydrophobicContact CG2-CB 4Å; I122-R130 VanDerWaalsContact CD1-NH1 3.3Å |
| 123 | S | 61.2 | Low | 68.8 | Low | 52 Ų | 52 | 124.5 Ų | 124.5 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | | | trans | -43.1 | 135.3 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 107.7 | Q121 E125 E126 E127 | Q121-S123 PolarHBondContact O-N 2.91Å; Q121-S123 VanDerWaalsContact O-N 3.13Å; S123-E125 CarbonylContact O-C 3.58Å; S123-E125 PolarHBondContact O-N 3.2Å; S123-E126 WeakPolarHBondContact O-CA 3.31Å; S123-E126 WeakPolarHBondContact O-CB 3.47Å; S123-E126 PolarHBondContact O-N 3.26Å; S123-E127 PolarHBondContact O-N 3.05Å; S123-E127 VanDerWaalsContact O-N 3.07Å |
| 124 | P | 72.9 | Confident | 71.1 | Confident | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -49.1 | -28.6 | -178.1 | 17.6 | -31.4 | 0 | 0 | 0 | 112.2 | E128 | P124-E128 PolarHBondContact O-N 3.44Å; P124-E128 VanDerWaalsContact O-N 3.15Å |
| 125 | E | 76.8 | Confident | 73.2 | Confident | 155 Ų | 155 | 127.7 Ų | 127.7 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.6 | -41.5 | 172.1 | -168.6 | 177 | -175.6 | 0 | 0 | 114.7 | S123 E128 K129 | S123-E125 CarbonylContact O-C 3.58Å; S123-E125 PolarHBondContact O-N 3.2Å; E125-E128 PolarHBondContact O-N 3.44Å; E125-K129 PolarHBondContact O-N 2.9Å; E125-K129 VanDerWaalsContact O-N 3.08Å |
| 126 | E | 83.6 | Confident | 75.4 | Confident | 120 Ų | 120 | 125.4 Ų | 125.4 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.2 | -31.7 | 175.4 | -72.7 | -168.9 | 162 | 0 | 0 | 112.7 | I122 S123 R130 | I122-E126 HydrophobicContact CG2-CB 3.42Å; I122-E126 VanDerWaalsContact CG2-CB 3.42Å; S123-E126 WeakPolarHBondContact O-CA 3.31Å; S123-E126 WeakPolarHBondContact O-CB 3.47Å; S123-E126 PolarHBondContact O-N 3.26Å; E126-R130 PolarHBondContact O-N 3.34Å |
| 127 | E | 87.9 | Confident | 77.7 | Confident | 104 Ų | 104 | 119.4 Ų | 119.4 | 49% | 0.486 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.8 | -41.5 | 174.6 | -176.4 | 167.9 | -151.8 | 0 | 0 | 110.7 | I122 S123 R130 R131 | I122-E127 HydrophobicContact CG2-CB 4Å; S123-E127 PolarHBondContact O-N 3.05Å; S123-E127 VanDerWaalsContact O-N 3.07Å; E127-R130 WeakPolarHBondContact O-CB 3.47Å; E127-R130 PolarHBondContact O-N 3.22Å; E127-R130 VanDerWaalsContact O-N 3.15Å; E127-R131 PolarHBondContact O-N 3.48Å |
| 128 | E | 89.3 | Confident | 79.8 | Confident | 75 Ų | 75 | 123.6 Ų | 123.6 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -44.9 | 175 | -171.2 | 53.4 | -133.9 | 0 | 0 | 111.3 | P124 E125 R130 R131 I132 | P124-E128 PolarHBondContact O-N 3.44Å; P124-E128 VanDerWaalsContact O-N 3.15Å; E125-E128 PolarHBondContact O-N 3.44Å; E128-R130 PolarHBondContact O-N 3.03Å; E128-R131 WeakPolarHBondContact O-CB 3.33Å; E128-R131 PolarHBondContact O-N 3.49Å; E128-R131 IonicContact OE2-CZ 2.63Å; E128-R131 IonicContact OE2-NE 3.47Å; E128-R131 IonicContact OE2-NH1 3.85Å; E128-R131 PolarHBondContact OE2-NH1 2.87Å; E128-I132 HydrophobicContact CG-CD1 4.17Å; E128-I132 WeakPolarHBondContact O-CG1 3.4Å; E128-I132 PolarHBondContact O-N 3.11Å |
| 129 | K | 93.3 | Very high | 82.6 | Confident | 123 Ų | 123 | 120.2 Ų | 120.2 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.4 | -37.8 | 173.6 | -173.8 | 175.1 | -176.4 | 173.7 | 0 | 112.4 | E125 R133 | E125-K129 PolarHBondContact O-N 2.9Å; E125-K129 VanDerWaalsContact O-N 3.08Å; K129-R133 WeakPolarHBondContact O-CG 3.44Å; K129-R133 PolarHBondContact O-N 2.63Å |
| 130 | R | 93.2 | Very high | 84.8 | Confident | 109 Ų | 109 | 116.5 Ų | 116.5 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 174.8 | -177.6 | 176.6 | -72.9 | 122.7 | -1.3 | 111.7 | I122 E126 E127 E128 R133 R134 | I122-R130 VanDerWaalsContact CD1-NH1 3.3Å; E126-R130 PolarHBondContact O-N 3.34Å; E127-R130 WeakPolarHBondContact O-CB 3.47Å; E127-R130 PolarHBondContact O-N 3.22Å; E127-R130 VanDerWaalsContact O-N 3.15Å; E128-R130 PolarHBondContact O-N 3.03Å; R130-R133 PolarHBondContact O-N 3.4Å; R130-R134 WeakPolarHBondContact O-CG 3.49Å; R130-R134 PolarHBondContact O-N 3.48Å |
| 131 | R | 94.4 | Very high | 87.1 | Confident | 142 Ų | 142 | 113.1 Ų | 113.1 | 54% | 0.536 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.5 | -175.5 | -175.1 | -69.8 | 155.8 | -4.6 | 111 | E127 E128 R133 R134 L135 | E127-R131 PolarHBondContact O-N 3.48Å; E128-R131 WeakPolarHBondContact O-CB 3.33Å; E128-R131 PolarHBondContact O-N 3.49Å; E128-R131 IonicContact OE2-CZ 2.63Å; E128-R131 IonicContact OE2-NE 3.47Å; E128-R131 IonicContact OE2-NH1 3.85Å; E128-R131 PolarHBondContact OE2-NH1 2.87Å; R131-R133 VanDerWaalsContact C-N 3.35Å; R131-R133 PolarHBondContact O-N 2.95Å; R131-R134 PolarHBondContact O-N 3.47Å; R131-L135 WeakPolarHBondContact O-CB 3.38Å; R131-L135 PolarHBondContact O-N 3.31Å |
| 132 | I | 95.7 | Very high | 89.4 | Confident | 60 Ų | 60 | 106.9 Ų | 106.9 | 31% | 0.308 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 177.8 | -66 | 168.5 | 0 | 0 | 0 | 111.1 | E128 R134 L135 R136 | E128-I132 HydrophobicContact CG-CD1 4.17Å; E128-I132 WeakPolarHBondContact O-CG1 3.4Å; E128-I132 PolarHBondContact O-N 3.11Å; I132-R134 PolarHBondContact O-N 3.3Å; I132-L135 PolarHBondContact O-N 3.43Å; I132-R136 VanDerWaalsContact CG2-NH1 3.27Å; I132-R136 WeakPolarHBondContact O-CG 3.45Å; I132-R136 PolarHBondContact O-N 3.43Å |
| 133 | R | 97.1 | Very high | 91.8 | Very high | 158 Ų | 158 | 111.3 Ų | 111.3 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -43.8 | 176.3 | -74.9 | 174.8 | 176.7 | 160.8 | -6.3 | 112.2 | K129 R130 R131 N137 | K129-R133 WeakPolarHBondContact O-CG 3.44Å; K129-R133 PolarHBondContact O-N 2.63Å; R130-R133 PolarHBondContact O-N 3.4Å; R131-R133 VanDerWaalsContact C-N 3.35Å; R131-R133 PolarHBondContact O-N 2.95Å; R133-N137 WeakPolarHBondContact O-CB 3.36Å; R133-N137 PolarHBondContact O-N 3.21Å |
| 134 | R | 97.9 | Very high | 93.6 | Very high | 176 Ų | 176 | 113 Ų | 113 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 176.2 | -72.3 | 179.3 | 178.6 | -176 | 0.4 | 111.7 | R130 R131 I132 N137 K138 | R130-R134 WeakPolarHBondContact O-CG 3.49Å; R130-R134 PolarHBondContact O-N 3.48Å; R131-R134 PolarHBondContact O-N 3.47Å; I132-R134 PolarHBondContact O-N 3.3Å; R134-N137 PolarHBondContact O-N 3.49Å; R134-K138 VanDerWaalsContact O-CB 3.24Å; R134-K138 WeakPolarHBondContact O-CB 3.35Å; R134-K138 PolarHBondContact O-N 3.13Å |
| 135 | L | 97.4 | Very high | 94.8 | Very high | 94 Ų | 94 | 116.8 Ų | 116.8 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 178.1 | -170.2 | 67.7 | 0 | 0 | 0 | 111.2 | R131 I132 N137 K138 Q139 | R131-L135 WeakPolarHBondContact O-CB 3.38Å; R131-L135 PolarHBondContact O-N 3.31Å; I132-L135 PolarHBondContact O-N 3.43Å; L135-N137 PolarHBondContact O-N 3.17Å; L135-K138 WeakPolarHBondContact O-CB 3.49Å; L135-K138 PolarHBondContact O-N 2.97Å; L135-Q139 WeakPolarHBondContact O-CG 3.49Å; L135-Q139 PolarHBondContact O-N 3.34Å |
| 136 | R | 98.3 | Very high | 95.8 | Very high | 164 Ų | 164 | 113 Ų | 113 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 173.9 | -72.4 | -176.7 | -173.2 | 129 | 4.1 | 111.9 | I132 Q139 A140 | I132-R136 VanDerWaalsContact CG2-NH1 3.27Å; I132-R136 WeakPolarHBondContact O-CG 3.45Å; I132-R136 PolarHBondContact O-N 3.43Å; R136-Q139 PolarHBondContact O-N 2.96Å; R136-A140 WeakPolarHBondContact O-CB 3.29Å; R136-A140 PolarHBondContact O-N 3.38Å |
| 137 | N | 98 | Very high | 96.6 | Very high | 114 Ų | 114 | 116.4 Ų | 116.4 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.3 | -38.3 | 175.8 | -177.3 | -100.4 | 0 | 0 | 0 | 112 | R133 R134 L135 A140 A141 | R133-N137 WeakPolarHBondContact O-CB 3.36Å; R133-N137 PolarHBondContact O-N 3.21Å; R134-N137 PolarHBondContact O-N 3.49Å; L135-N137 PolarHBondContact O-N 3.17Å; N137-A140 PolarHBondContact O-N 2.8Å; N137-A141 VanDerWaalsContact O-CB 3.3Å; N137-A141 WeakPolarHBondContact O-CB 3.15Å; N137-A141 PolarHBondContact O-N 3.13Å |
| 138 | K | 98.4 | Very high | 97.1 | Very high | 152 Ų | 152 | 120.9 Ų | 120.9 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 173.7 | -175.6 | 180 | -179.2 | -176.7 | 0 | 111 | R134 L135 A142 | R134-K138 VanDerWaalsContact O-CB 3.24Å; R134-K138 WeakPolarHBondContact O-CB 3.35Å; R134-K138 PolarHBondContact O-N 3.13Å; L135-K138 WeakPolarHBondContact O-CB 3.49Å; L135-K138 PolarHBondContact O-N 2.97Å; K138-A142 WeakPolarHBondContact O-CB 3.25Å; K138-A142 PolarHBondContact O-N 3.35Å |
| 139 | Q | 98.4 | Very high | 97.5 | Very high | 120 Ų | 120 | 125.1 Ų | 125.1 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64 | -45 | 174.9 | -73.2 | 173 | -19 | 0 | 0 | 111.7 | L135 R136 A141 A142 K143 | L135-Q139 WeakPolarHBondContact O-CG 3.49Å; L135-Q139 PolarHBondContact O-N 3.34Å; R136-Q139 PolarHBondContact O-N 2.96Å; Q139-A141 PolarHBondContact O-N 3.49Å; Q139-A142 PolarHBondContact O-N 2.9Å; Q139-K143 WeakPolarHBondContact O-CB 3.42Å; Q139-K143 PolarHBondContact O-N 2.99Å |
| 140 | A | 98.4 | Very high | 97.8 | Very high | 56 Ų | 56 | 124 Ų | 124 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | R136 N137 K143 C144 | R136-A140 WeakPolarHBondContact O-CB 3.29Å; R136-A140 PolarHBondContact O-N 3.38Å; N137-A140 PolarHBondContact O-N 2.8Å; A140-K143 PolarHBondContact O-N 3.45Å; A140-C144 VanDerWaalsContact O-CB 3.3Å; A140-C144 WeakPolarHBondContact O-CB 3.32Å; A140-C144 PolarHBondContact O-N 3.38Å |
| 141 | A | 98.5 | Very high | 98 | Very high | 37 Ų | 37 | 123.9 Ų | 123.9 | 31% | 0.306 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N137 Q139 C144 R145 | N137-A141 VanDerWaalsContact O-CB 3.3Å; N137-A141 WeakPolarHBondContact O-CB 3.15Å; N137-A141 PolarHBondContact O-N 3.13Å; Q139-A141 PolarHBondContact O-N 3.49Å; A141-C144 PolarHBondContact O-N 2.95Å; A141-R145 WeakPolarHBondContact O-CG 3.46Å; A141-R145 PolarHBondContact O-N 3.36Å |
| 142 | A | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 121 Ų | 121 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.1 | -47.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K138 Q139 C144 R145 N146 | K138-A142 WeakPolarHBondContact O-CB 3.25Å; K138-A142 PolarHBondContact O-N 3.35Å; Q139-A142 PolarHBondContact O-N 2.9Å; A142-C144 VanDerWaalsContact C-N 3.34Å; A142-C144 PolarHBondContact O-N 3.39Å; A142-R145 PolarHBondContact O-N 3.29Å; A142-N146 WeakPolarHBondContact O-CB 3.43Å; A142-N146 PolarHBondContact O-N 2.96Å |
| 143 | K | 98.7 | Very high | 98.4 | Very high | 162 Ų | 162 | 122.6 Ų | 122.6 | 70% | 0.704 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -39.3 | 177 | -172.8 | 172.7 | -178 | 173.8 | 0 | 112.3 | Q139 A140 N146 R147 | Q139-K143 WeakPolarHBondContact O-CB 3.42Å; Q139-K143 PolarHBondContact O-N 2.99Å; A140-K143 PolarHBondContact O-N 3.45Å; K143-N146 PolarHBondContact O-N 3Å; K143-R147 WeakPolarHBondContact O-CB 3.49Å; K143-R147 PolarHBondContact O-N 3.22Å |
| 144 | C | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 119.2 Ų | 119.2 | 60% | 0.595 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.9 | -46.8 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | A140 A141 A142 N146 R148 | A140-C144 VanDerWaalsContact O-CB 3.3Å; A140-C144 WeakPolarHBondContact O-CB 3.32Å; A140-C144 PolarHBondContact O-N 3.38Å; A141-C144 PolarHBondContact O-N 2.95Å; A142-C144 VanDerWaalsContact C-N 3.34Å; A142-C144 PolarHBondContact O-N 3.39Å; C144-N146 VanDerWaalsContact C-N 3.32Å; C144-N146 PolarHBondContact O-N 2.93Å; C144-R148 PolarHBondContact O-N 3.45Å; C144-R148 VanDerWaalsContact O-N 3.08Å |
| 145 | R | 98.6 | Very high | 98.5 | Very high | 188 Ų | 188 | 115.2 Ų | 115.2 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -40 | 174.5 | -71.3 | 172.4 | -179.5 | 164.5 | -0.6 | 111.9 | A141 A142 R148 R149 | A141-R145 WeakPolarHBondContact O-CG 3.46Å; A141-R145 PolarHBondContact O-N 3.36Å; A142-R145 PolarHBondContact O-N 3.29Å; R145-R148 PolarHBondContact O-N 2.78Å; R145-R149 PolarHBondContact O-N 2.86Å |
| 146 | N | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 115.6 Ų | 115.6 | 40% | 0.401 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -50.4 | 179.2 | -160.2 | 61.5 | 0 | 0 | 0 | 111.4 | A142 K143 C144 R148 R149 E150 | A142-N146 WeakPolarHBondContact O-CB 3.43Å; A142-N146 PolarHBondContact O-N 2.96Å; K143-N146 PolarHBondContact O-N 3Å; C144-N146 VanDerWaalsContact C-N 3.32Å; C144-N146 PolarHBondContact O-N 2.93Å; N146-R148 VanDerWaalsContact C-N 3.25Å; N146-R148 PolarHBondContact O-N 3.44Å; N146-R149 WeakPolarHBondContact O-CA 3.47Å; N146-R149 WeakPolarHBondContact O-CB 3.5Å; N146-R149 PolarHBondContact O-N 2.93Å; N146-E150 VanDerWaalsContact ND2-CD 3.28Å; N146-E150 PolarHBondContact ND2-OE1 2.91Å; N146-E150 WeakPolarHBondContact O-CG 3.42Å; N146-E150 PolarHBondContact O-N 3.15Å |
| 147 | R | 98.8 | Very high | 98.6 | Very high | 193 Ų | 193 | 110.6 Ų | 110.6 | 73% | 0.728 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.5 | -39.6 | 176.8 | -174.6 | -179 | -178.2 | -171 | 1.3 | 112.2 | K143 L151 | K143-R147 WeakPolarHBondContact O-CB 3.49Å; K143-R147 PolarHBondContact O-N 3.22Å; R147-L151 WeakPolarHBondContact O-CB 3.24Å; R147-L151 PolarHBondContact O-N 2.96Å |
| 148 | R | 98.7 | Very high | 98.6 | Very high | 197 Ų | 197 | 110 Ų | 110 | 74% | 0.743 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 176.2 | -176.1 | 175 | 178.9 | 174.2 | -1 | 111.5 | C144 R145 N146 T152 | C144-R148 PolarHBondContact O-N 3.45Å; C144-R148 VanDerWaalsContact O-N 3.08Å; R145-R148 PolarHBondContact O-N 2.78Å; N146-R148 VanDerWaalsContact C-N 3.25Å; N146-R148 PolarHBondContact O-N 3.44Å; R148-T152 PolarHBondContact O-N 3.44Å; R148-T152 PolarHBondContact O-OG1 3.47Å |
| 149 | R | 98.8 | Very high | 98.7 | Very high | 164 Ų | 164 | 105.8 Ų | 105.8 | 62% | 0.619 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -51.9 | 176.8 | -172.2 | -170.3 | -56.4 | -132.3 | -4 | 111.2 | R145 N146 L151 T152 D153 | R145-R149 PolarHBondContact O-N 2.86Å; N146-R149 WeakPolarHBondContact O-CA 3.47Å; N146-R149 WeakPolarHBondContact O-CB 3.5Å; N146-R149 PolarHBondContact O-N 2.93Å; R149-L151 PolarHBondContact O-N 2.94Å; R149-T152 CarbonylContact O-C 3.53Å; R149-T152 WeakPolarHBondContact O-CA 3.35Å; R149-T152 WeakPolarHBondContact O-CB 3.49Å; R149-T152 PolarHBondContact O-N 3.29Å; R149-D153 VanDerWaalsContact O-CG 3.27Å; R149-D153 PolarHBondContact O-N 3.45Å |
| 150 | E | 98.6 | Very high | 98.7 | Very high | 101 Ų | 101 | 103.5 Ų | 103.5 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.4 | -39.7 | 178.3 | -71.5 | 169.4 | 168.1 | 0 | 0 | 112.2 | N146 D153 T154 | N146-E150 VanDerWaalsContact ND2-CD 3.28Å; N146-E150 PolarHBondContact ND2-OE1 2.91Å; N146-E150 WeakPolarHBondContact O-CG 3.42Å; N146-E150 PolarHBondContact O-N 3.15Å; E150-D153 PolarHBondContact O-N 2.94Å; E150-T154 WeakPolarHBondContact O-CB 3.38Å; E150-T154 PolarHBondContact O-N 3.44Å; E150-T154 PolarHBondContact O-OG1 3.34Å |
| 151 | L | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 105.3 Ų | 105.3 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 174.2 | 177.6 | 63.1 | 0 | 0 | 0 | 111.7 | R147 R149 T154 L155 | R147-L151 WeakPolarHBondContact O-CB 3.24Å; R147-L151 PolarHBondContact O-N 2.96Å; R149-L151 PolarHBondContact O-N 2.94Å; L151-T154 PolarHBondContact O-N 2.97Å; L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.19Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.16Å; L151-L155 PolarHBondContact O-N 2.75Å |
| 152 | T | 98.7 | Very high | 98.7 | Very high | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | R148 R149 T154 L155 Q156 | R148-T152 PolarHBondContact O-N 3.44Å; R148-T152 PolarHBondContact O-OG1 3.47Å; R149-T152 CarbonylContact O-C 3.53Å; R149-T152 WeakPolarHBondContact O-CA 3.35Å; R149-T152 WeakPolarHBondContact O-CB 3.49Å; R149-T152 PolarHBondContact O-N 3.29Å; T152-T154 VanDerWaalsContact C-N 3.31Å; T152-T154 PolarHBondContact O-N 2.93Å; T152-L155 PolarHBondContact O-N 3.23Å; T152-Q156 WeakPolarHBondContact O-CB 3.49Å; T152-Q156 PolarHBondContact O-N 2.99Å |
| 153 | D | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 111 Ų | 111 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | -179.7 | -63.4 | -9.4 | 0 | 0 | 0 | 111 | R149 E150 Q156 A157 | R149-D153 VanDerWaalsContact O-CG 3.27Å; R149-D153 PolarHBondContact O-N 3.45Å; E150-D153 PolarHBondContact O-N 2.94Å; D153-Q156 PolarHBondContact O-N 3.4Å; D153-A157 WeakPolarHBondContact O-CB 3.43Å; D153-A157 PolarHBondContact O-N 2.8Å |
| 154 | T | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 108.5 Ų | 108.5 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | E150 L151 T152 Q156 A157 E158 | E150-T154 WeakPolarHBondContact O-CB 3.38Å; E150-T154 PolarHBondContact O-N 3.44Å; E150-T154 PolarHBondContact O-OG1 3.34Å; L151-T154 PolarHBondContact O-N 2.97Å; T152-T154 VanDerWaalsContact C-N 3.31Å; T152-T154 PolarHBondContact O-N 2.93Å; T154-Q156 VanDerWaalsContact C-N 3.29Å; T154-Q156 PolarHBondContact O-N 3.45Å; T154-A157 PolarHBondContact O-N 3.35Å; T154-E158 WeakPolarHBondContact O-CB 3.4Å; T154-E158 PolarHBondContact O-N 3Å |
| 155 | L | 98.9 | Very high | 98.8 | Very high | 93 Ų | 93 | 109 Ų | 109 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 177.5 | -69.5 | 173.6 | 0 | 0 | 0 | 111.8 | L151 T152 T159 | L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.19Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.16Å; L151-L155 PolarHBondContact O-N 2.75Å; T152-L155 PolarHBondContact O-N 3.23Å; L155-T159 PolarHBondContact O-N 3.19Å; L155-T159 PolarHBondContact O-OG1 3.42Å |
| 156 | Q | 98.9 | Very high | 98.8 | Very high | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -48.7 | 174.6 | -172.3 | 62.5 | 55.4 | 0 | 0 | 110.8 | T152 D153 T154 E158 T159 D160 | T152-Q156 WeakPolarHBondContact O-CB 3.49Å; T152-Q156 PolarHBondContact O-N 2.99Å; D153-Q156 PolarHBondContact O-N 3.4Å; T154-Q156 VanDerWaalsContact C-N 3.29Å; T154-Q156 PolarHBondContact O-N 3.45Å; Q156-E158 VanDerWaalsContact C-N 3.3Å; Q156-E158 PolarHBondContact O-N 3.22Å; Q156-T159 WeakPolarHBondContact O-CB 3.37Å; Q156-T159 PolarHBondContact O-N 3.5Å; Q156-D160 PolarHBondContact NE2-OD1 2.88Å; Q156-D160 VanDerWaalsContact O-CG 3.22Å; Q156-D160 PolarHBondContact O-N 3.47Å |
| 157 | A | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 105.4 Ų | 105.4 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D153 T154 T159 D160 M161 | D153-A157 WeakPolarHBondContact O-CB 3.43Å; D153-A157 PolarHBondContact O-N 2.8Å; T154-A157 PolarHBondContact O-N 3.35Å; A157-T159 VanDerWaalsContact C-N 3.34Å; A157-D160 PolarHBondContact O-N 2.92Å; A157-M161 WeakPolarHBondContact O-CB 3.28Å; A157-M161 PolarHBondContact O-N 3.33Å |
| 158 | E | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 174 | -174.7 | 178.3 | 177.3 | 0 | 0 | 111.7 | T154 Q156 L162 | T154-E158 WeakPolarHBondContact O-CB 3.4Å; T154-E158 PolarHBondContact O-N 3Å; Q156-E158 VanDerWaalsContact C-N 3.3Å; Q156-E158 PolarHBondContact O-N 3.22Å; E158-L162 HydrophobicContact CG-CD1 4.35Å; E158-L162 VanDerWaalsContact O-CG 3.28Å; E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.06Å |
| 159 | T | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 95.5 Ų | 95.5 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 175.7 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | L155 Q156 A157 M161 L162 E163 | L155-T159 PolarHBondContact O-N 3.19Å; L155-T159 PolarHBondContact O-OG1 3.42Å; Q156-T159 WeakPolarHBondContact O-CB 3.37Å; Q156-T159 PolarHBondContact O-N 3.5Å; A157-T159 VanDerWaalsContact C-N 3.34Å; T159-M161 VanDerWaalsContact C-N 3.31Å; T159-M161 PolarHBondContact O-N 3.46Å; T159-L162 PolarHBondContact O-N 3.06Å; T159-E163 WeakPolarHBondContact O-CG 3.35Å; T159-E163 PolarHBondContact O-N 2.92Å |
| 160 | D | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 93 Ų | 93 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 179.7 | -59 | -13.3 | 0 | 0 | 0 | 110.6 | Q156 A157 L162 E163 D164 | Q156-D160 PolarHBondContact NE2-OD1 2.88Å; Q156-D160 VanDerWaalsContact O-CG 3.22Å; Q156-D160 PolarHBondContact O-N 3.47Å; A157-D160 PolarHBondContact O-N 2.92Å; D160-L162 PolarHBondContact O-N 3.04Å; D160-E163 PolarHBondContact O-N 3Å; D160-D164 PolarHBondContact O-N 2.94Å |
| 161 | M | 98.8 | Very high | 98.8 | Very high | 95 Ų | 95 | 92.5 Ų | 92.5 | 47% | 0.468 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.2 | -176.3 | -176.4 | 74.8 | 0 | 0 | 112.3 | A157 T159 E163 D164 E165 | A157-M161 WeakPolarHBondContact O-CB 3.28Å; A157-M161 PolarHBondContact O-N 3.33Å; T159-M161 VanDerWaalsContact C-N 3.31Å; T159-M161 PolarHBondContact O-N 3.46Å; M161-E163 VanDerWaalsContact C-N 3.32Å; M161-E163 PolarHBondContact O-N 2.82Å; M161-D164 PolarHBondContact O-N 2.81Å; M161-E165 WeakPolarHBondContact O-CB 3.41Å; M161-E165 WeakPolarHBondContact O-CG 3.28Å; M161-E165 PolarHBondContact O-N 3.43Å |
| 162 | L | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 91 Ų | 91 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 177.9 | -71.5 | 172.8 | 0 | 0 | 0 | 112.3 | E158 T159 D160 K166 | E158-L162 HydrophobicContact CG-CD1 4.35Å; E158-L162 VanDerWaalsContact O-CG 3.28Å; E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.06Å; T159-L162 PolarHBondContact O-N 3.06Å; D160-L162 PolarHBondContact O-N 3.04Å; L162-K166 WeakPolarHBondContact O-CB 3.41Å; L162-K166 PolarHBondContact O-N 3.31Å |
| 163 | E | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 92 Ų | 92 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.7 | -42.8 | 173.9 | -72.1 | -179 | 179.9 | 0 | 0 | 111.6 | T159 D160 M161 K166 S167 | T159-E163 WeakPolarHBondContact O-CG 3.35Å; T159-E163 PolarHBondContact O-N 2.92Å; D160-E163 PolarHBondContact O-N 3Å; M161-E163 VanDerWaalsContact C-N 3.32Å; M161-E163 PolarHBondContact O-N 2.82Å; E163-K166 PolarHBondContact O-N 3.44Å; E163-S167 WeakPolarHBondContact O-CB 3.42Å; E163-S167 PolarHBondContact O-N 3.47Å |
| 164 | D | 98.8 | Very high | 98.8 | Very high | 109 Ų | 109 | 90.1 Ų | 90.1 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.5 | -47.9 | 175.2 | -75.1 | -16.6 | 0 | 0 | 0 | 111.6 | D160 M161 K166 S167 T168 | D160-D164 PolarHBondContact O-N 2.94Å; M161-D164 PolarHBondContact O-N 2.81Å; D164-K166 VanDerWaalsContact C-N 3.34Å; D164-K166 PolarHBondContact O-N 3.38Å; D164-S167 PolarHBondContact O-N 3.04Å; D164-S167 PolarHBondContact O-OG 3.05Å; D164-T168 WeakPolarHBondContact O-CB 3.47Å; D164-T168 PolarHBondContact O-N 2.91Å; D164-T168 PolarHBondContact O-OG1 3.44Å |
| 165 | E | 98.8 | Very high | 98.8 | Very high | 98 Ų | 98 | 89.6 Ų | 89.6 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.3 | -76.1 | -179.7 | -164 | 0 | 0 | 111.7 | M161 S167 T168 L169 | M161-E165 WeakPolarHBondContact O-CB 3.41Å; M161-E165 WeakPolarHBondContact O-CG 3.28Å; M161-E165 PolarHBondContact O-N 3.43Å; E165-S167 VanDerWaalsContact C-N 3.34Å; E165-S167 PolarHBondContact O-N 2.9Å; E165-T168 WeakPolarHBondContact O-CB 3.48Å; E165-T168 PolarHBondContact O-N 2.87Å; E165-L169 WeakPolarHBondContact O-CG 3.45Å; E165-L169 PolarHBondContact O-N 3.01Å |
| 166 | K | 98.8 | Very high | 98.8 | Very high | 128 Ų | 128 | 90.5 Ų | 90.5 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.9 | -46.7 | 175.5 | 176.9 | -173.3 | 173.9 | -171.7 | 0 | 111.1 | L162 E163 D164 T168 L169 Q170 | L162-K166 WeakPolarHBondContact O-CB 3.41Å; L162-K166 PolarHBondContact O-N 3.31Å; E163-K166 PolarHBondContact O-N 3.44Å; D164-K166 VanDerWaalsContact C-N 3.34Å; D164-K166 PolarHBondContact O-N 3.38Å; K166-T168 VanDerWaalsContact C-N 3.3Å; K166-T168 PolarHBondContact O-N 3.17Å; K166-L169 PolarHBondContact O-N 3.04Å; K166-Q170 WeakPolarHBondContact O-CB 3.33Å; K166-Q170 VanDerWaalsContact O-CG 3.25Å; K166-Q170 WeakPolarHBondContact O-CG 3.46Å; K166-Q170 PolarHBondContact O-N 3.25Å |
| 167 | S | 98.8 | Very high | 98.8 | Very high | 60 Ų | 60 | 90.5 Ų | 90.5 | 42% | 0.42 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | -179.7 | 77.2 | 0 | 0 | 0 | 0 | 111.9 | E163 D164 E165 Q170 N171 | E163-S167 WeakPolarHBondContact O-CB 3.42Å; E163-S167 PolarHBondContact O-N 3.47Å; D164-S167 PolarHBondContact O-N 3.04Å; D164-S167 PolarHBondContact O-OG 3.05Å; E165-S167 VanDerWaalsContact C-N 3.34Å; E165-S167 PolarHBondContact O-N 2.9Å; S167-Q170 PolarHBondContact O-N 3.24Å; S167-N171 WeakPolarHBondContact O-CB 3.39Å; S167-N171 PolarHBondContact O-N 2.83Å |
| 168 | T | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 94.8 Ų | 94.8 | 45% | 0.454 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -51.9 | 176 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | D164 E165 K166 Q170 N171 D172 | D164-T168 WeakPolarHBondContact O-CB 3.47Å; D164-T168 PolarHBondContact O-N 2.91Å; D164-T168 PolarHBondContact O-OG1 3.44Å; E165-T168 WeakPolarHBondContact O-CB 3.48Å; E165-T168 PolarHBondContact O-N 2.87Å; K166-T168 VanDerWaalsContact C-N 3.3Å; K166-T168 PolarHBondContact O-N 3.17Å; T168-Q170 VanDerWaalsContact C-N 3.3Å; T168-Q170 PolarHBondContact O-N 2.86Å; T168-N171 WeakPolarHBondContact O-CB 3.29Å; T168-N171 PolarHBondContact O-N 3.48Å; T168-N171 VanDerWaalsContact O-N 3.13Å; T168-D172 PolarHBondContact O-N 3.33Å |
| 169 | L | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 95.2 Ų | 95.2 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -38.6 | 177.5 | -69.5 | 174.2 | 0 | 0 | 0 | 112.2 | E165 K166 N171 D172 I173 | E165-L169 WeakPolarHBondContact O-CG 3.45Å; E165-L169 PolarHBondContact O-N 3.01Å; K166-L169 PolarHBondContact O-N 3.04Å; L169-N171 VanDerWaalsContact C-N 3.35Å; L169-D172 PolarHBondContact O-N 3.19Å; L169-I173 WeakPolarHBondContact O-CD1 3.32Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.36Å; L169-I173 PolarHBondContact O-N 3.23Å |
| 170 | Q | 98.8 | Very high | 98.8 | Very high | 113 Ų | 113 | 97.3 Ų | 97.3 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.6 | -76 | 179.9 | -18.6 | 0 | 0 | 112.3 | K166 S167 T168 A174 | K166-Q170 WeakPolarHBondContact O-CB 3.33Å; K166-Q170 VanDerWaalsContact O-CG 3.25Å; K166-Q170 WeakPolarHBondContact O-CG 3.46Å; K166-Q170 PolarHBondContact O-N 3.25Å; S167-Q170 PolarHBondContact O-N 3.24Å; T168-Q170 VanDerWaalsContact C-N 3.3Å; T168-Q170 PolarHBondContact O-N 2.86Å; Q170-A174 PolarHBondContact O-N 2.72Å |
| 171 | N | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 100.3 Ų | 100.3 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 174.5 | 177.6 | 69.7 | 0 | 0 | 0 | 111.7 | S167 T168 L169 I173 A174 N175 | S167-N171 WeakPolarHBondContact O-CB 3.39Å; S167-N171 PolarHBondContact O-N 2.83Å; T168-N171 WeakPolarHBondContact O-CB 3.29Å; T168-N171 PolarHBondContact O-N 3.48Å; T168-N171 VanDerWaalsContact O-N 3.13Å; L169-N171 VanDerWaalsContact C-N 3.35Å; N171-I173 PolarHBondContact O-N 3.05Å; N171-A174 WeakPolarHBondContact O-CB 3.36Å; N171-A174 PolarHBondContact O-N 3.08Å; N171-N175 PolarHBondContact ND2-ND2 2.97Å; N171-N175 VanDerWaalsContact O-CG 3.27Å; N171-N175 PolarHBondContact O-N 3.04Å; N171-N175 PolarHBondContact O-ND2 3.49Å |
| 172 | D | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 104.2 Ų | 104.2 | 40% | 0.396 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 177.9 | -68.7 | -12.7 | 0 | 0 | 0 | 111.8 | T168 L169 A174 N175 L176 | T168-D172 PolarHBondContact O-N 3.33Å; L169-D172 PolarHBondContact O-N 3.19Å; D172-A174 VanDerWaalsContact C-N 3.33Å; D172-A174 PolarHBondContact O-N 3.47Å; D172-N175 PolarHBondContact O-N 3.43Å; D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 VanDerWaalsContact O-CG 3.32Å; D172-L176 WeakPolarHBondContact O-CG 3.33Å; D172-L176 PolarHBondContact O-N 3.23Å |
| 173 | I | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 173.1 | -69.9 | 164.5 | 0 | 0 | 0 | 110.5 | L169 N171 N175 L176 L177 | L169-I173 WeakPolarHBondContact O-CD1 3.32Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.36Å; L169-I173 PolarHBondContact O-N 3.23Å; N171-I173 PolarHBondContact O-N 3.05Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 2.91Å; I173-L176 PolarHBondContact O-N 2.68Å; I173-L177 HydrophobicContact CG2-CD1 3.93Å; I173-L177 HydrophobicContact CG2-CG 4.39Å; I173-L177 WeakPolarHBondContact O-CB 3.41Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 3.27Å |
| 174 | A | 98.8 | Very high | 98.7 | Very high | 54 Ų | 54 | 103 Ų | 103 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | Q170 N171 D172 L177 K178 | Q170-A174 PolarHBondContact O-N 2.72Å; N171-A174 WeakPolarHBondContact O-CB 3.36Å; N171-A174 PolarHBondContact O-N 3.08Å; D172-A174 VanDerWaalsContact C-N 3.33Å; D172-A174 PolarHBondContact O-N 3.47Å; A174-L177 PolarHBondContact O-N 3Å; A174-K178 WeakPolarHBondContact O-CB 3.1Å; A174-K178 PolarHBondContact O-N 2.84Å |
| 175 | N | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 105.1 Ų | 105.1 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 177.7 | -70.4 | -31.8 | 0 | 0 | 0 | 112 | N171 D172 I173 L177 K178 E179 | N171-N175 PolarHBondContact ND2-ND2 2.97Å; N171-N175 VanDerWaalsContact O-CG 3.27Å; N171-N175 PolarHBondContact O-N 3.04Å; N171-N175 PolarHBondContact O-ND2 3.49Å; D172-N175 PolarHBondContact O-N 3.43Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 2.91Å; N175-L177 PolarHBondContact O-N 3.43Å; N175-K178 WeakPolarHBondContact O-CB 3.4Å; N175-K178 PolarHBondContact O-N 3.42Å; N175-E179 PolarHBondContact O-N 3.3Å |
| 176 | L | 98.8 | Very high | 98.6 | Very high | 111 Ų | 111 | 104.4 Ų | 104.4 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 177.2 | -71.9 | 172.4 | 0 | 0 | 0 | 112.1 | D172 I173 K178 E179 K180 | D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 VanDerWaalsContact O-CG 3.32Å; D172-L176 WeakPolarHBondContact O-CG 3.33Å; D172-L176 PolarHBondContact O-N 3.23Å; I173-L176 PolarHBondContact O-N 2.68Å; L176-K178 VanDerWaalsContact C-N 3.34Å; L176-E179 PolarHBondContact O-N 2.93Å; L176-K180 WeakPolarHBondContact O-CB 3.17Å; L176-K180 PolarHBondContact O-N 3.44Å |
| 177 | L | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.7 | -73 | 174.6 | 0 | 0 | 0 | 111.8 | I173 A174 N175 K180 E181 | I173-L177 HydrophobicContact CG2-CD1 3.93Å; I173-L177 HydrophobicContact CG2-CG 4.39Å; I173-L177 WeakPolarHBondContact O-CB 3.41Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 3.27Å; A174-L177 PolarHBondContact O-N 3Å; N175-L177 PolarHBondContact O-N 3.43Å; L177-K180 PolarHBondContact O-N 2.84Å; L177-E181 WeakPolarHBondContact O-CB 3.3Å; L177-E181 PolarHBondContact O-N 2.88Å |
| 178 | K | 98.8 | Very high | 98.3 | Very high | 149 Ų | 149 | 103.9 Ų | 103.9 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 175.5 | -174.4 | 180 | -179.7 | -179.7 | 0 | 112.1 | A174 N175 L176 R182 | A174-K178 WeakPolarHBondContact O-CB 3.1Å; A174-K178 PolarHBondContact O-N 2.84Å; N175-K178 WeakPolarHBondContact O-CB 3.4Å; N175-K178 PolarHBondContact O-N 3.42Å; L176-K178 VanDerWaalsContact C-N 3.34Å; K178-R182 WeakPolarHBondContact O-CB 3.3Å; K178-R182 PolarHBondContact O-N 3.18Å |
| 179 | E | 98.7 | Very high | 98.2 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175.1 | -174.1 | 174.3 | -174.6 | 0 | 0 | 111.4 | N175 L176 E181 R182 L183 | N175-E179 PolarHBondContact O-N 3.3Å; L176-E179 PolarHBondContact O-N 2.93Å; E179-E181 PolarHBondContact O-N 3.33Å; E179-R182 WeakPolarHBondContact O-CB 3.41Å; E179-R182 PolarHBondContact O-N 3.41Å; E179-L183 HydrophobicContact CG-CD1 4.19Å; E179-L183 HydrophobicContact CG-CG 4.49Å; E179-L183 WeakPolarHBondContact O-CG 3.32Å; E179-L183 PolarHBondContact O-N 2.86Å |
| 180 | K | 98.6 | Very high | 98 | Very high | 108 Ų | 108 | 102.7 Ų | 102.7 | 47% | 0.47 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55.3 | -51.4 | 172.7 | 175.5 | -178.3 | 179 | -74.8 | 0 | 111.1 | L176 L177 R182 L183 E184 | L176-K180 WeakPolarHBondContact O-CB 3.17Å; L176-K180 PolarHBondContact O-N 3.44Å; L177-K180 PolarHBondContact O-N 2.84Å; K180-R182 VanDerWaalsContact C-N 3.3Å; K180-R182 PolarHBondContact O-N 2.79Å; K180-L183 PolarHBondContact O-N 2.86Å; K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 HydrophobicContact CG-CG 4.33Å; K180-E184 VanDerWaalsContact NZ-CD 3.27Å; K180-E184 IonicContact NZ-OE1 3.18Å; K180-E184 PolarHBondContact NZ-OE1 3.46Å; K180-E184 IonicContact NZ-OE2 3.02Å; K180-E184 PolarHBondContact NZ-OE2 3.32Å; K180-E184 WeakPolarHBondContact O-CB 3.36Å; K180-E184 WeakPolarHBondContact O-CG 3.24Å; K180-E184 PolarHBondContact O-N 3.34Å |
| 181 | E | 98.6 | Very high | 97.6 | Very high | 135 Ų | 135 | 104.2 Ų | 104.2 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -42.6 | 178.7 | -176.3 | -176.7 | -173.8 | 0 | 0 | 111.4 | L177 E179 L183 E184 F185 | L177-E181 WeakPolarHBondContact O-CB 3.3Å; L177-E181 PolarHBondContact O-N 2.88Å; E179-E181 PolarHBondContact O-N 3.33Å; E181-L183 PolarHBondContact O-N 3Å; E181-E184 PolarHBondContact O-N 3.16Å; E181-F185 WeakPolarHBondContact O-CB 3.39Å; E181-F185 PolarHBondContact O-N 3.3Å |
| 182 | R | 98.4 | Very high | 97.2 | Very high | 177 Ų | 177 | 105.2 Ų | 105.2 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 175.5 | 175.8 | -175.9 | 174 | 142.5 | 0.4 | 111.9 | K178 E179 K180 F185 I186 | K178-R182 WeakPolarHBondContact O-CB 3.3Å; K178-R182 PolarHBondContact O-N 3.18Å; E179-R182 WeakPolarHBondContact O-CB 3.41Å; E179-R182 PolarHBondContact O-N 3.41Å; K180-R182 VanDerWaalsContact C-N 3.3Å; K180-R182 PolarHBondContact O-N 2.79Å; R182-F185 PolarHBondContact O-N 3.37Å; R182-I186 HydrophobicContact CG-CD1 4.19Å; R182-I186 VanDerWaalsContact O-CG1 3.31Å; R182-I186 WeakPolarHBondContact O-CG1 3.43Å; R182-I186 PolarHBondContact O-N 3.31Å; R182-I186 VanDerWaalsContact O-N 3.08Å |
| 183 | L | 98.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 107.8 Ų | 107.8 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 179.5 | -69.3 | 173.7 | 0 | 0 | 0 | 111.3 | E179 K180 E181 F185 I186 L187 | E179-L183 HydrophobicContact CG-CD1 4.19Å; E179-L183 HydrophobicContact CG-CG 4.49Å; E179-L183 WeakPolarHBondContact O-CG 3.32Å; E179-L183 PolarHBondContact O-N 2.86Å; K180-L183 PolarHBondContact O-N 2.86Å; E181-L183 PolarHBondContact O-N 3Å; L183-F185 VanDerWaalsContact C-N 3.29Å; L183-F185 PolarHBondContact O-N 3.48Å; L183-I186 PolarHBondContact O-N 3.28Å; L183-I186 VanDerWaalsContact O-N 3.17Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.22Å |
| 184 | E | 97.6 | Very high | 96.3 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 173.9 | -75.5 | 176.8 | 164.2 | 0 | 0 | 111.3 | K180 E181 L187 A188 | K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 HydrophobicContact CG-CG 4.33Å; K180-E184 VanDerWaalsContact NZ-CD 3.27Å; K180-E184 IonicContact NZ-OE1 3.18Å; K180-E184 PolarHBondContact NZ-OE1 3.46Å; K180-E184 IonicContact NZ-OE2 3.02Å; K180-E184 PolarHBondContact NZ-OE2 3.32Å; K180-E184 WeakPolarHBondContact O-CB 3.36Å; K180-E184 WeakPolarHBondContact O-CG 3.24Å; K180-E184 PolarHBondContact O-N 3.34Å; E181-E184 PolarHBondContact O-N 3.16Å; E184-L187 PolarHBondContact O-N 2.82Å; E184-A188 VanDerWaalsContact O-CB 3.29Å; E184-A188 WeakPolarHBondContact O-CB 3.42Å; E184-A188 PolarHBondContact O-N 2.83Å |
| 185 | F | 98.4 | Very high | 95.7 | Very high | 152 Ų | 152 | 112.4 Ų | 112.4 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.5 | -45.5 | 174.4 | 177.7 | -96.1 | 0 | 0 | 0 | 112.2 | E181 R182 L183 A188 A189 | E181-F185 WeakPolarHBondContact O-CB 3.39Å; E181-F185 PolarHBondContact O-N 3.3Å; R182-F185 PolarHBondContact O-N 3.37Å; L183-F185 VanDerWaalsContact C-N 3.29Å; L183-F185 PolarHBondContact O-N 3.48Å; F185-A188 PolarHBondContact O-N 2.83Å; F185-A189 WeakPolarHBondContact O-CB 3.33Å; F185-A189 PolarHBondContact O-N 3.48Å |
| 186 | I | 97.7 | Very high | 94.8 | Very high | 84 Ų | 84 | 114.7 Ų | 114.7 | 43% | 0.431 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.7 | -44.5 | 177.6 | -68 | 164.7 | 0 | 0 | 0 | 110.7 | R182 L183 A189 H190 | R182-I186 HydrophobicContact CG-CD1 4.19Å; R182-I186 VanDerWaalsContact O-CG1 3.31Å; R182-I186 WeakPolarHBondContact O-CG1 3.43Å; R182-I186 PolarHBondContact O-N 3.31Å; R182-I186 VanDerWaalsContact O-N 3.08Å; L183-I186 PolarHBondContact O-N 3.28Å; L183-I186 VanDerWaalsContact O-N 3.17Å; I186-A189 PolarHBondContact O-N 3.49Å; I186-H190 WeakPolarHBondContact O-CB 3.35Å; I186-H190 PolarHBondContact O-N 3.07Å |
| 187 | L | 96.1 | Very high | 93.3 | Very high | 118 Ų | 118 | 114.2 Ų | 114.2 | 62% | 0.618 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64 | -45.6 | 178.9 | -71.6 | 176.1 | 0 | 0 | 0 | 111.7 | L183 E184 A189 H190 Q191 | L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.22Å; E184-L187 PolarHBondContact O-N 2.82Å; L187-A189 VanDerWaalsContact C-N 3.3Å; L187-A189 PolarHBondContact O-N 3.19Å; L187-H190 PolarHBondContact O-N 3.26Å; L187-H190 VanDerWaalsContact O-N 3.15Å; L187-Q191 PolarHBondContact O-N 2.75Å |
| 188 | A | 95.3 | Very high | 91.7 | Very high | 59 Ų | 59 | 114.7 Ų | 114.7 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.7 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | E184 F185 H190 P192 | E184-A188 VanDerWaalsContact O-CB 3.29Å; E184-A188 WeakPolarHBondContact O-CB 3.42Å; E184-A188 PolarHBondContact O-N 2.83Å; F185-A188 PolarHBondContact O-N 2.83Å; A188-H190 VanDerWaalsContact C-N 3.35Å; A188-P192 WeakPolarHBondContact O-CD 3.43Å |
| 189 | A | 95.8 | Very high | 89.8 | Confident | 58 Ų | 58 | 116.4 Ų | 116.4 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.6 | -33 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F185 I186 L187 P192 | F185-A189 WeakPolarHBondContact O-CB 3.33Å; F185-A189 PolarHBondContact O-N 3.48Å; I186-A189 PolarHBondContact O-N 3.49Å; L187-A189 VanDerWaalsContact C-N 3.3Å; L187-A189 PolarHBondContact O-N 3.19Å; A189-P192 WeakPolarHBondContact O-CD 3.39Å |
| 190 | H | 95.1 | Very high | 87.8 | Confident | 99 Ų | 99 | 119.2 Ų | 119.2 | 46% | 0.458 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -81.4 | -30.2 | 179.5 | -179 | -97.6 | 0 | 0 | 0 | 113.6 | I186 L187 A188 P192 I193 C194 | I186-H190 WeakPolarHBondContact O-CB 3.35Å; I186-H190 PolarHBondContact O-N 3.07Å; L187-H190 PolarHBondContact O-N 3.26Å; L187-H190 VanDerWaalsContact O-N 3.15Å; A188-H190 VanDerWaalsContact C-N 3.35Å; H190-P192 VanDerWaalsContact O-N 3.16Å; H190-I193 PolarHBondContact O-N 3.05Å; H190-C194 PolarHBondContact O-N 2.85Å; H190-C194 VanDerWaalsContact O-N 3.15Å |
| 191 | Q | 91.5 | Very high | 85.8 | Confident | 145 Ų | 145 | 120.9 Ų | 120.9 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.5 | -44.1 | -177.1 | -163.1 | 175.7 | -3.7 | 0 | 0 | 115.5 | L187 I193 | L187-Q191 PolarHBondContact O-N 2.75Å; Q191-I193 PolarHBondContact O-N 2.81Å |
| 192 | P | 89.3 | Confident | 83.7 | Confident | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -15.3 | 179.6 | 27.2 | -35.8 | 0 | 0 | 0 | 114.8 | A188 A189 H190 | A188-P192 WeakPolarHBondContact O-CD 3.43Å; A189-P192 WeakPolarHBondContact O-CD 3.39Å; H190-P192 VanDerWaalsContact O-N 3.16Å |
| 193 | I | 90.9 | Very high | 81.1 | Confident | 127 Ų | 127 | 120.2 Ų | 120.2 | 65% | 0.651 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -17.2 | -176.1 | -55.7 | 158.4 | 0 | 0 | 0 | 110.9 | H190 Q191 K195 | H190-I193 PolarHBondContact O-N 3.05Å; Q191-I193 PolarHBondContact O-N 2.81Å; I193-K195 PolarHBondContact O-N 3.28Å |
| 194 | C | 88.9 | Confident | 78.7 | Confident | 50 Ų | 50 | 125.7 Ų | 125.7 | 34% | 0.338 | 67% | 0.669 | S | S | . | * | | | trans | -69.4 | 126.3 | -178.4 | -165.1 | 0 | 0 | 0 | 0 | 111.9 | H190 | H190-C194 PolarHBondContact O-N 2.85Å; H190-C194 VanDerWaalsContact O-N 3.15Å |
| 195 | K | 84.3 | Confident | 76.3 | Confident | 203 Ų | 203 | 126.7 Ų | 126.7 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | | | trans | -100 | 8 | 176.2 | -65.1 | -179.9 | -178.3 | 177.3 | 0 | 113.7 | I193 | I193-K195 PolarHBondContact O-N 3.28Š|
| 196 | I | 81.6 | Confident | 74.4 | Confident | 125 Ų | 125 | 127.9 Ų | 127.9 | 64% | 0.641 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -85.9 | 124.8 | -179.3 | -51.1 | 172.8 | 0 | 0 | 0 | 107.5 | S198 | I196-S198 PolarHBondContact O-N 3.17Š|
| 197 | P | 67.7 | Low | 72.1 | Confident | 102 Ų | 102 | 129.1 Ų | 129.1 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | | | trans | -61.1 | 124.7 | 177.2 | -21.5 | 32.4 | 0 | 0 | 0 | 111.2 | E199 | P197-E199 PolarHBondContact O-N 3.04Å; P197-E199 VanDerWaalsContact O-N 3.11Å |
| 198 | S | 64.9 | Low | 69.6 | Low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -74.8 | 12 | -178.5 | -46.8 | 0 | 0 | 0 | 0 | 114.8 | I196 L200 | I196-S198 PolarHBondContact O-N 3.17Å; S198-L200 PolarHBondContact O-N 3.48Å |
| 199 | E | 57.1 | Low | 67 | Low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | | | trans | -98.2 | 34.7 | -168.7 | -65.3 | -156.5 | 167 | 0 | 0 | 115.3 | P197 | P197-E199 PolarHBondContact O-N 3.04Å; P197-E199 VanDerWaalsContact O-N 3.11Å |
| 200 | L | 56.9 | Low | 64.6 | Low | 169 Ų | 169 | 136.4 Ų | 136.4 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -105.8 | 17.5 | 174.6 | -56.5 | 173.7 | 0 | 0 | 0 | 113.2 | S198 | S198-L200 PolarHBondContact O-N 3.48Š|
| 201 | D | 57.1 | Low | 61.9 | Low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -140 | 77.1 | -173.3 | -158.9 | 25.6 | 0 | 0 | 0 | 112.2 | | |
| 202 | T | 54.7 | Low | 59.6 | Low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -175.6 | 26.7 | 142.5 | 15.3 | 0 | 0 | 0 | 0 | 116 | | |
| 203 | D | 44.5 | Very low | 57.2 | Low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | -126.3 | 58 | 174.4 | -76.3 | -38.8 | 0 | 0 | 0 | 112.3 | | |
| 204 | F | 47.3 | Very low | 54.7 | Low | 203 Ų | 203 | 135.8 Ų | 135.8 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | trans | -114.7 | 109.6 | 155.8 | -93.1 | -83.1 | 0 | 0 | 0 | 108.4 | M206 | F204-M206 PolarHBondContact O-N 3.4Š|
| 205 | P | 47.7 | Very low | 52.2 | Low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -68.6 | 107.8 | 175.6 | 25 | -26.9 | 0 | 0 | 0 | 108.5 | P207 | P205-P207 WeakPolarHBondContact O-CD 3.44Š|
| 206 | M | 57.3 | Low | 49.7 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | trans | -55.6 | 114.7 | 164.6 | -163.7 | 178.6 | 173.6 | 0 | 0 | 107.9 | F204 C208 | F204-M206 PolarHBondContact O-N 3.4Å; M206-C208 PolarHBondContact O-N 3.38Å |
| 207 | P | 50 | Low | 47.7 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | trans | -74.6 | 102.4 | 178.5 | 0.1 | 14.8 | 0 | 0 | 0 | 108.2 | P205 L209 | P205-P207 WeakPolarHBondContact O-CD 3.44Å; P207-L209 PolarHBondContact O-N 3.47Å |
| 208 | C | 44.5 | Very low | 46 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -62.8 | 100.7 | 158.4 | 49 | 0 | 0 | 0 | 0 | 108.3 | M206 S210 | M206-C208 PolarHBondContact O-N 3.38Å; C208-S210 PolarHBondContact O-N 2.94Å |
| 209 | L | 40.4 | Very low | 44.6 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -71.2 | 79.6 | 168.1 | -82.7 | 143.9 | 0 | 0 | 0 | 109.1 | P207 | P207-L209 PolarHBondContact O-N 3.47Š|
| 210 | S | 45.6 | Very low | 43.5 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -106.5 | 84.4 | 156.6 | -68.4 | 0 | 0 | 0 | 0 | 107.6 | C208 | C208-S210 PolarHBondContact O-N 2.94Š|
| 211 | T | 37.2 | Very low | 42.7 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | | | trans | -105.7 | 99.6 | 167.4 | -58.2 | 0 | 0 | 0 | 0 | 108.4 | V213 | T211-V213 HydrophobicContact CG2-CG1 4.07Å; T211-V213 PolarHBondContact O-N 2.9Å |
| 212 | A | 43.5 | Very low | 42 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -63.1 | 122.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 213 | V | 39.2 | Very low | 41.2 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -136.5 | 105.1 | 157.7 | -79 | 0 | 0 | 0 | 0 | 109.8 | T211 | T211-V213 HydrophobicContact CG2-CG1 4.07Å; T211-V213 PolarHBondContact O-N 2.9Å |
| 214 | T | 38.3 | Very low | 40.7 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -72 | 122.7 | 161.3 | -41.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 215 | S | 37 | Very low | 40.1 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | 163 | 107.5 | 136 | 40.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 216 | T | 31.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | | 40 | 115.6 | 125.1 | 45.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 217 | I | 38.8 | Very low | 38.4 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | 67.5 | 115.2 | 133.5 | -36.5 | 164.8 | 0 | 0 | 0 | 119.7 | | |
| 218 | T | 31.8 | Very low | 37.8 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | | | | 166.4 | 144.9 | 106.6 | 37.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 219 | S | 35.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -61.4 | 139.7 | 177.8 | 155.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 220 | S | 35.4 | Very low | 37.3 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | | 178.6 | 133.1 | 126.1 | 37.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 221 | Q | 39.6 | Very low | 37.2 | Very low | 172 Ų | 172 | 124.5 Ų | 124.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -69.6 | 160.6 | 159.6 | -75.7 | -170.7 | -31.9 | 0 | 0 | 110.1 | | |
| 222 | P | 42.1 | Very low | 37.4 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | | -144.9 | 151.5 | 97.3 | 33.2 | -15.2 | 0 | 0 | 0 | 115.7 | | |
| 223 | T | 37.6 | Very low | 36.7 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 142.3 | 161.6 | -51.5 | 0 | 0 | 0 | 0 | 111 | | |
| 224 | F | 33.8 | Very low | 36.5 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 82% | 0.82 | 77% | 0.769 | S | S | * | * | | | trans | -176.2 | 119.3 | 133.8 | -90.6 | -66 | 0 | 0 | 0 | 112.2 | | |
| 225 | T | 34.6 | Very low | 36.4 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | trans | 33.1 | 130.2 | 140 | 57.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 226 | S | 32.8 | Very low | 36.3 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | | 115.2 | 108.5 | 124.5 | -146.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 227 | A | 37.3 | Very low | 36.4 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | trans | 40.3 | 126.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 228 | S | 38.5 | Very low | 36.8 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | 114 | 137.8 | 132.3 | -58.2 | 0 | 0 | 0 | 0 | 118 | | |
| 229 | N | 37.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | 89.2 | 134.2 | 165.1 | -42.2 | -31.7 | 0 | 0 | 0 | 113.3 | | |
| 230 | S | 36.1 | Very low | 37.1 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | cis | -169.2 | 131.3 | 27.6 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 231 | I | 43.1 | Very low | 37 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | | 46.4 | 112.6 | 129.1 | -50.9 | 172.2 | 0 | 0 | 0 | 118.3 | S233 | I231-S233 PolarHBondContact O-N 3.04Š|
| 232 | F | 41.1 | Very low | 36.6 | Very low | 198 Ų | 198 | 123.5 Ų | 123.5 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -45.8 | 112.4 | 154 | -100.8 | -103.7 | 0 | 0 | 0 | 111.3 | S234 | F232-S234 PolarHBondContact O-N 2.81Š|
| 233 | S | 29.6 | Very low | 36.4 | Very low | 111 Ų | 111 | 122 Ų | 122 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -91.1 | 96.9 | 163.5 | -76.8 | 0 | 0 | 0 | 0 | 109 | I231 | I231-S233 PolarHBondContact O-N 3.04Š|
| 234 | S | 35.5 | Very low | 36.2 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -85.1 | 113.3 | 161.8 | -60 | 0 | 0 | 0 | 0 | 107.8 | F232 | F232-S234 PolarHBondContact O-N 2.81Š|
| 235 | T | 36.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -94.9 | 102.4 | 166.7 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 236 | S | 34.9 | Very low | 36.3 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -77 | 125 | 160.9 | 62.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 237 | S | 33.2 | Very low | 36.2 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -114.2 | 103.2 | 171.5 | -48.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 238 | V | 47.4 | Very low | 36.4 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -78 | 150.3 | 161.6 | -121 | 0 | 0 | 0 | 0 | 108.9 | | |
| 239 | P | 41.3 | Very low | 36.4 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -120.2 | 129.3 | 148.6 | 30.5 | -17.4 | 0 | 0 | 0 | 111.5 | | |
| 240 | S | 32.5 | Very low | 36.8 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | -81.6 | 146.3 | 168 | -96.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 241 | A | 32.5 | Very low | 36.9 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -24 | 139.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 242 | A | 31.7 | Very low | 36.9 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -136.2 | 132.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 243 | A | 37.5 | Very low | 37.3 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -83.5 | 143.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 244 | V | 33.5 | Very low | 38.4 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | -169.1 | 118.3 | 136.5 | -96.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 245 | S | 33.8 | Very low | 39.3 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | 46.6 | 109.1 | 135.7 | -48.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 246 | D | 35.7 | Very low | 40 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | | 57.9 | 103.2 | 122.1 | -147.6 | 15 | 0 | 0 | 0 | 120.5 | | |
| 247 | S | 32.3 | Very low | 40.8 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -155 | 111 | 141.1 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 248 | T | 41.1 | Very low | 41.8 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | | | trans | -72.2 | 118 | 176.3 | -73.6 | 0 | 0 | 0 | 0 | 111 | | |
| 249 | V | 37 | Very low | 42.1 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | -140.8 | 116.4 | 152.3 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 250 | K | 46.9 | Very low | 42.8 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -81.3 | 121.4 | 176.8 | -69.7 | 174.6 | 173.5 | 175.7 | 0 | 109.8 | | |
| 251 | M | 38.4 | Very low | 43.9 | Very low | 184 Ų | 184 | 125.5 Ų | 125.5 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | | | trans | -140.4 | 87.8 | 156.5 | -67.4 | -68.3 | -79.2 | 0 | 0 | 106.7 | | |
| 252 | A | 43 | Very low | 45 | Very low | 102 Ų | 102 | 124 Ų | 124 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | | | trans | -121.9 | 96.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 253 | D | 48.7 | Very low | 46.2 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | | | trans | -172.6 | 147.3 | 146.7 | -150.7 | -7.6 | 0 | 0 | 0 | 107.8 | | |
| 254 | L | 53 | Low | 47.2 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 92 | 44.9 | -175.3 | -53 | 166.4 | 0 | 0 | 0 | 117.6 | | |
| 255 | E | 53.8 | Low | 48 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -153.6 | 39.3 | 154.7 | -96.3 | -54.3 | 166 | 0 | 0 | 110.5 | | |
| 256 | A | 52 | Low | 48.8 | Very low | 70 Ų | 70 | 124 Ų | 124 | 58% | 0.579 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -110.1 | -20.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 257 | S | 52 | Low | 49.6 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.5 | -25.4 | 179.7 | -74.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 258 | V | 53.1 | Low | 50.3 | Low | 93 Ų | 93 | 125.8 Ų | 125.8 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.4 | -29 | -176.1 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | S262 | V258-S262 PolarHBondContact O-OG 2.96Å |
| 259 | L | 53.4 | Low | 50.6 | Low | 116 Ų | 116 | 125.7 Ų | 125.7 | 61% | 0.607 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -80.8 | -25.9 | 177.1 | -74.1 | 168.8 | 0 | 0 | 0 | 113.4 | S262 L263 | L259-S262 PolarHBondContact O-OG 3.42Å; L259-L263 PolarHBondContact O-N 3.48Å |
| 260 | E | 57.4 | Low | 50.9 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 62% | 0.617 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.5 | -30.3 | 174 | -98.6 | -161.5 | 162.4 | 0 | 0 | 113 | N264 | E260-N264 PolarHBondContact O-N 2.64Å; E260-N264 VanDerWaalsContact O-N 3.13Å; E260-N264 PolarHBondContact O-ND2 2.73Å |
| 261 | E | 55.7 | Low | 50.9 | Low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.4 | -32.3 | 179 | -169.3 | 168.5 | -175.9 | 0 | 0 | 112 | L265 | E261-L265 PolarHBondContact O-N 3.15Å |
| 262 | S | 55.2 | Low | 51.1 | Low | 69 Ų | 69 | 125.6 Ų | 125.6 | 48% | 0.483 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -79.3 | -28 | 176.2 | 29.7 | 0 | 0 | 0 | 0 | 113.2 | V258 L259 L266 | V258-S262 PolarHBondContact O-OG 2.96Å; L259-S262 PolarHBondContact O-OG 3.42Å; S262-L266 PolarHBondContact O-N 3.07Å |
| 263 | L | 57 | Low | 51.1 | Low | 114 Ų | 114 | 127.1 Ų | 127.1 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73 | -38.2 | 171.2 | -93 | 167.7 | 0 | 0 | 0 | 113.1 | L259 L265 L266 E267 | L259-L263 PolarHBondContact O-N 3.48Å; L263-L265 PolarHBondContact O-N 3.06Å; L263-L266 PolarHBondContact O-N 3.24Å; L263-L266 VanDerWaalsContact O-N 3.15Å; L263-E267 WeakPolarHBondContact O-CB 3.42Å; L263-E267 PolarHBondContact O-N 3.48Å |
| 264 | N | 58.4 | Low | 50.6 | Low | 100 Ų | 100 | 124.4 Ų | 124.4 | 54% | 0.535 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -63.8 | -28.4 | 175.7 | -87.5 | -67.3 | 0 | 0 | 0 | 113.2 | E260 K268 | E260-N264 PolarHBondContact O-N 2.64Å; E260-N264 VanDerWaalsContact O-N 3.13Å; E260-N264 PolarHBondContact O-ND2 2.73Å; N264-K268 PolarHBondContact O-N 3.2Å |
| 265 | L | 49.9 | Very low | 49.9 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.3 | -28.7 | 177.1 | -129.9 | 144.8 | 0 | 0 | 0 | 111.7 | E261 L263 T269 | E261-L265 PolarHBondContact O-N 3.15Å; L263-L265 PolarHBondContact O-N 3.06Å; L265-T269 PolarHBondContact O-OG1 3.02Å |
| 266 | L | 50.5 | Low | 49 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 60% | 0.602 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.4 | -39.6 | 175.3 | -161.1 | 64.6 | 0 | 0 | 0 | 112.2 | S262 L263 K268 T269 E270 | S262-L266 PolarHBondContact O-N 3.07Å; L263-L266 PolarHBondContact O-N 3.24Å; L263-L266 VanDerWaalsContact O-N 3.15Å; L266-K268 VanDerWaalsContact C-N 3.3Å; L266-K268 PolarHBondContact O-N 2.87Å; L266-T269 PolarHBondContact O-N 2.88Å; L266-E270 PolarHBondContact O-N 3.08Å |
| 267 | E | 52.4 | Low | 48.4 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 58% | 0.579 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -66.4 | -30.2 | 178 | -164.3 | 172.7 | -175.3 | 0 | 0 | 112.4 | L263 T269 | L263-E267 WeakPolarHBondContact O-CB 3.42Å; L263-E267 PolarHBondContact O-N 3.48Å; E267-T269 PolarHBondContact O-N 3.07Å |
| 268 | K | 48.3 | Very low | 48.3 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -8 | 172.7 | -160.6 | 164.1 | 179.3 | 176.4 | 0 | 113.9 | N264 L266 | N264-K268 PolarHBondContact O-N 3.2Å; L266-K268 VanDerWaalsContact C-N 3.3Å; L266-K268 PolarHBondContact O-N 2.87Å |
| 269 | T | 46.5 | Very low | 47.5 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -1 | -178.9 | -25.3 | 0 | 0 | 0 | 0 | 113.3 | L265 L266 E267 | L265-T269 PolarHBondContact O-OG1 3.02Å; L266-T269 PolarHBondContact O-N 2.88Å; E267-T269 PolarHBondContact O-N 3.07Å |
| 270 | E | 43.9 | Very low | 47.6 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -105.1 | 0.9 | -176.7 | 79.2 | 172.6 | -162.7 | 0 | 0 | 116.4 | L266 | L266-E270 PolarHBondContact O-N 3.08Š|
| 271 | M | 46.2 | Very low | 46.8 | Very low | 160 Ų | 160 | 136 Ų | 136 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -102.7 | 45.3 | 174.2 | 67.5 | 163.5 | 155.2 | 0 | 0 | 114.6 | | |
| 272 | E | 42.3 | Very low | 46.2 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | | | trans | -150 | 63.2 | 158.2 | -142.7 | 173.2 | 176.8 | 0 | 0 | 111.2 | | |
| 273 | T | 42.7 | Very low | 45.5 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | trans | -124.6 | 134.6 | 159 | -70.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 274 | A | 39 | Very low | 44.4 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | trans | 74.2 | 94.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 275 | R | 37.9 | Very low | 43.5 | Very low | 246 Ų | 246 | 139 Ų | 139 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | | | trans | -128.4 | 105.9 | 138.8 | -92.8 | -172 | 173.6 | 100 | -0.2 | 111.3 | | |
| 276 | S | 36.2 | Very low | 43.4 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | 61.5 | 92.6 | 150 | 61.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 277 | V | 39.3 | Very low | 42.8 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -87.7 | 117.9 | 143.2 | 178.3 | 0 | 0 | 0 | 0 | 106.8 | E279 | V277-E279 PolarHBondContact O-N 2.8Š|
| 278 | P | 50.1 | Low | 42.5 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -73.2 | 115.4 | 168.9 | 25.7 | -27.7 | 0 | 0 | 0 | 109.5 | V280 | P278-V280 PolarHBondContact O-N 3.38Š|
| 279 | E | 35.4 | Very low | 41.9 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | | | trans | -62 | 106 | 165 | -165.5 | 174.8 | -160.9 | 0 | 0 | 108 | V277 | V277-E279 PolarHBondContact O-N 2.8Š|
| 280 | V | 54.6 | Low | 41.3 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | | | trans | -95.4 | 103.3 | 169.3 | 81.5 | 0 | 0 | 0 | 0 | 107.5 | P278 L282 | P278-V280 PolarHBondContact O-N 3.38Å; V280-L282 HydrophobicContact CG2-CG 4.34Å; V280-L282 PolarHBondContact O-N 2.78Å |
| 281 | D | 41.4 | Very low | 40.9 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -73.8 | 106.8 | 172.2 | -159.3 | -0.5 | 0 | 0 | 0 | 107.8 | S283 | D281-S283 PolarHBondContact OD1-OG 3.15Š|
| 282 | L | 43.7 | Very low | 40.5 | Very low | 146 Ų | 146 | 145 Ų | 145 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -117.4 | 69.8 | 169.8 | -71.5 | 179.7 | 0 | 0 | 0 | 109.5 | V280 S284 | V280-L282 HydrophobicContact CG2-CG 4.34Å; V280-L282 PolarHBondContact O-N 2.78Å; L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 3.15Å; L282-S284 VanDerWaalsContact O-N 3.07Å |
| 283 | S | 39.4 | Very low | 40.3 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | -62.3 | 93.2 | 149.7 | -63.7 | 0 | 0 | 0 | 0 | 109.5 | D281 | D281-S283 PolarHBondContact OD1-OG 3.15Š|
| 284 | S | 34.2 | Very low | 40.3 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | -145 | 70.2 | 160.4 | -162.3 | 0 | 0 | 0 | 0 | 111 | L282 L286 | L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 3.15Å; L282-S284 VanDerWaalsContact O-N 3.07Å; S284-L286 PolarHBondContact O-N 3.07Å |
| 285 | T | 40.6 | Very low | 40.1 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -66 | 108 | 158.3 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 286 | L | 45.9 | Very low | 40.1 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -170.2 | 91.4 | 154.4 | -101.3 | 142.2 | 0 | 0 | 0 | 108.6 | S284 | S284-L286 PolarHBondContact O-N 3.07Š|
| 287 | Y | 39.6 | Very low | 40.1 | Very low | 219 Ų | 219 | 142 Ų | 142 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | 158.7 | 111.2 | 136.2 | -95.4 | -76.9 | 0 | 0 | 0 | 109.6 | | |
| 288 | P | 44.4 | Very low | 39.8 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -90.8 | 150.4 | 175.5 | 35.6 | -29.6 | 0 | 0 | 0 | 111.2 | | |
| 289 | G | 35.6 | Very low | 39.2 | Very low | 66 Ų | 66 | 141.4 Ų | 141.4 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | trans | 99.5 | 96.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 290 | Q | 34.7 | Very low | 39.3 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | -153.5 | 93.2 | 138.4 | -148.6 | 129.8 | 22.1 | 0 | 0 | 110.5 | W292 | Q290-W292 HydrophobicContact CG-CZ2 4.46Š|
| 291 | D | 35.3 | Very low | 38.5 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -64.8 | 127.9 | 163.9 | -48.8 | -56.1 | 0 | 0 | 0 | 108.3 | | |
| 292 | W | 37.6 | Very low | 38.3 | Very low | 227 Ų | 227 | 139.1 Ų | 139.1 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -105.2 | 97.2 | 162.7 | -74.7 | 105.2 | 0 | 0 | 0 | 108.6 | Q290 | Q290-W292 HydrophobicContact CG-CZ2 4.46Š|
| 293 | E | 38.9 | Very low | 38.2 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | -68.3 | 140.2 | 176.9 | -161.3 | -179.8 | 168.9 | 0 | 0 | 111.6 | L295 | E293-L295 PolarHBondContact O-N 3.07Š|
| 294 | P | 41.5 | Very low | 38 | Very low | 94 Ų | 94 | 143 Ų | 143 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | trans | -69.6 | 121.7 | 170.2 | -18.5 | 32.3 | 0 | 0 | 0 | 111.3 | H296 | P294-H296 PolarHBondContact O-CD2 3.15Å; P294-H296 VanDerWaalsContact O-CD2 3.29Å; P294-H296 PolarHBondContact O-N 2.87Å |
| 295 | L | 35.2 | Very low | 38.5 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | -68.3 | 97.3 | -179.7 | -69.8 | 168.5 | 0 | 0 | 0 | 111.9 | E293 | E293-L295 PolarHBondContact O-N 3.07Š|
| 296 | H | 37.9 | Very low | 38.9 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | trans | -87.6 | 97.1 | 156.4 | -39.3 | -74.8 | 0 | 0 | 0 | 107.9 | P294 S298 | P294-H296 PolarHBondContact O-CD2 3.15Å; P294-H296 VanDerWaalsContact O-CD2 3.29Å; P294-H296 PolarHBondContact O-N 2.87Å; H296-S298 PolarHBondContact O-N 2.73Å; H296-S298 VanDerWaalsContact O-N 3.09Å |
| 297 | T | 36.1 | Very low | 38.8 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -68.2 | 107.5 | 174.2 | 52 | 0 | 0 | 0 | 0 | 109.8 | | |
| 298 | S | 33.5 | Very low | 39.4 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -109.1 | 111.2 | 164.6 | -49.5 | 0 | 0 | 0 | 0 | 107.9 | H296 | H296-S298 PolarHBondContact O-N 2.73Å; H296-S298 VanDerWaalsContact O-N 3.09Å |
| 299 | T | 38.7 | Very low | 39.1 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | trans | -138.5 | 119.9 | 158.5 | -66.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 300 | S | 37.5 | Very low | 39.7 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -60.2 | 128 | 171.3 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 301 | N | 35.9 | Very low | 40 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -164.7 | 147.9 | 130.2 | -112.8 | -17.5 | 0 | 0 | 0 | 111.7 | | |
| 302 | N | 38.7 | Very low | 40.5 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | | | trans | -63.1 | 159.1 | -167 | -68.5 | -74.9 | 0 | 0 | 0 | 116 | | |
| 303 | D | 40.4 | Very low | 40.9 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 77.6 | 109.2 | 156.7 | -54.7 | -40.3 | 0 | 0 | 0 | 118.2 | | |
| 304 | F | 36.2 | Very low | 41.1 | Very low | 197 Ų | 197 | 135 Ų | 135 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | | 151.1 | 122 | 128.1 | -78.9 | -70.6 | 0 | 0 | 0 | 112.9 | | |
| 305 | E | 43.3 | Very low | 41.1 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | 64 | 112.7 | 150.5 | -139.3 | 84.8 | -161.4 | 0 | 0 | 121.2 | L307 | E305-L307 PolarHBondContact O-N 3.13Š|
| 306 | P | 49.3 | Very low | 41.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -88.1 | 99 | 172.2 | 34 | -28.6 | 0 | 0 | 0 | 111.2 | | |
| 307 | L | 44.6 | Very low | 41.5 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -93.8 | 108.6 | 169.9 | -84.6 | 156.3 | 0 | 0 | 0 | 110.9 | E305 T309 | E305-L307 PolarHBondContact O-N 3.13Å; L307-T309 PolarHBondContact O-N 3.24Å |
| 308 | C | 51.5 | Low | 41.6 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | -43.4 | 124 | 172 | -77.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 309 | T | 39.3 | Very low | 41.9 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -142.2 | 139.9 | 150.2 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | L307 | L307-T309 PolarHBondContact O-N 3.24Š|
| 310 | P | 48.1 | Very low | 42.1 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -78.4 | 142.7 | -154.8 | 29.2 | -36 | 0 | 0 | 0 | 114.9 | V312 | P310-V312 PolarHBondContact O-N 3.31Š|
| 311 | V | 41.2 | Very low | 42.2 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -52.3 | 120.8 | 166 | 169.4 | 0 | 0 | 0 | 0 | 110 | T313 | V311-T313 PolarHBondContact O-N 3.33Š|
| 312 | V | 44.6 | Very low | 42.5 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -82.9 | 100.3 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | P310 | P310-V312 PolarHBondContact O-N 3.31Š|
| 313 | T | 46.1 | Very low | 42.5 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -70.9 | 136.6 | 175.7 | -35.6 | 0 | 0 | 0 | 0 | 110.4 | V311 | V311-T313 PolarHBondContact O-N 3.33Š|
| 314 | C | 43.4 | Very low | 42.6 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -56.3 | 158.2 | -175.1 | -54.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 315 | T | 42 | Very low | 42.9 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -40.6 | 146.4 | 163.1 | 15.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 316 | P | 45.2 | Very low | 43 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | -72.5 | 131.6 | -174.1 | 29.4 | -34.1 | 0 | 0 | 0 | 112.5 | | |
| 317 | A | 36.8 | Very low | 42.2 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -70.9 | 133.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T319 | A317-T319 PolarHBondContact O-N 2.89Å; A317-T319 VanDerWaalsContact O-N 3.15Å |
| 318 | C | 38.1 | Very low | 42.2 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -56.9 | 112.4 | 173.7 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 319 | T | 39.1 | Very low | 41.3 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | | | trans | -91.6 | 119.7 | 165.3 | 61.1 | 0 | 0 | 0 | 0 | 108.2 | A317 Y321 | A317-T319 PolarHBondContact O-N 2.89Å; A317-T319 VanDerWaalsContact O-N 3.15Å; T319-Y321 VanDerWaalsContact C-N 3.32Å; T319-Y321 PolarHBondContact O-N 3.42Å |
| 320 | T | 43.8 | Very low | 41.7 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -68 | 91.9 | 168.3 | -54.9 | 0 | 0 | 0 | 0 | 108.1 | T322 | T320-T322 PolarHBondContact O-N 3.04Š|
| 321 | Y | 38.2 | Very low | 40.9 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | trans | -82 | 94.8 | 168.7 | -174.2 | -105.6 | 0 | 0 | 0 | 108.4 | T319 S323 | T319-Y321 VanDerWaalsContact C-N 3.32Å; T319-Y321 PolarHBondContact O-N 3.42Å; Y321-S323 WeakPolarHBondContact CE1-OG 3.49Å; Y321-S323 PolarHBondContact O-N 3.35Å |
| 322 | T | 42.6 | Very low | 40.9 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -78.4 | 102.9 | 165.3 | -163.2 | 0 | 0 | 0 | 0 | 107.7 | T320 | T320-T322 PolarHBondContact O-N 3.04Š|
| 323 | S | 39.5 | Very low | 40.5 | Very low | 50 Ų | 50 | 131.2 Ų | 131.2 | 35% | 0.35 | 77% | 0.765 | S | S | . | * | | | trans | -90.5 | 106.7 | 173.8 | -158.6 | 0 | 0 | 0 | 0 | 108 | Y321 F325 | Y321-S323 WeakPolarHBondContact CE1-OG 3.49Å; Y321-S323 PolarHBondContact O-N 3.35Å; S323-F325 PolarHBondContact O-N 2.96Å; S323-F325 WeakPolarHBondContact OG-CE2 3.43Å |
| 324 | S | 41.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -84.1 | 99.4 | 176.1 | -153 | 0 | 0 | 0 | 0 | 108.7 | | |
| 325 | F | 41.9 | Very low | 40 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | | | trans | -86.6 | 110.4 | 166.2 | -72.9 | -81.6 | 0 | 0 | 0 | 108.4 | S323 | S323-F325 PolarHBondContact O-N 2.96Å; S323-F325 WeakPolarHBondContact OG-CE2 3.43Å |
| 326 | A | 45.5 | Very low | 40.2 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -80.6 | 115.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 327 | F | 32.2 | Very low | 39.8 | Very low | 180 Ų | 180 | 135 Ų | 135 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | | | trans | -92.6 | 103.2 | 174 | -159.8 | -91.3 | 0 | 0 | 0 | 108.5 | F329 | F327-F329 HydrophobicContact CD1-CD2 4.03Å; F327-F329 AromaticContact CE1-CD2 3.87Å; F327-F329 HydrophobicContact CE1-CD2 3.87Å; F327-F329 HydrophobicContact CE1-CE2 4.26Å; F327-F329 PolarHBondContact O-N 3.29Å |
| 328 | T | 44.6 | Very low | 39.6 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | | | trans | -79.3 | 107.9 | 174.3 | -34.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 329 | F | 34.3 | Very low | 39.5 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 74% | 0.737 | 77% | 0.769 | S | S | * | * | | | trans | -80.7 | 125.1 | 174.4 | -141.3 | -90.8 | 0 | 0 | 0 | 108.9 | F327 E331 | F327-F329 HydrophobicContact CD1-CD2 4.03Å; F327-F329 AromaticContact CE1-CD2 3.87Å; F327-F329 HydrophobicContact CE1-CD2 3.87Å; F327-F329 HydrophobicContact CE1-CE2 4.26Å; F327-F329 PolarHBondContact O-N 3.29Å; F329-E331 PolarHBondContact O-N 3.43Å |
| 330 | P | 45.9 | Very low | 39.6 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | trans | -75.2 | 115.3 | 166.9 | -10 | 26.7 | 0 | 0 | 0 | 108.6 | | |
| 331 | E | 31.9 | Very low | 39.3 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -62.9 | 134.3 | 172.3 | -168.5 | 166.5 | -167.6 | 0 | 0 | 110.2 | F329 E333 | F329-E331 PolarHBondContact O-N 3.43Å; E331-E333 PolarHBondContact O-N 3.09Å |
| 332 | A | 42.1 | Very low | 39.4 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -75.8 | 115.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 333 | E | 35.6 | Very low | 39.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | trans | -130.5 | 114.6 | 168.8 | -89.8 | -71.9 | 168.5 | 0 | 0 | 109.8 | E331 | E331-E333 PolarHBondContact O-N 3.09Š|
| 334 | T | 40.2 | Very low | 39.6 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | 53.2 | 115.8 | 142.4 | 43.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 335 | F | 38.2 | Very low | 39.3 | Very low | 207 Ų | 207 | 144.9 Ų | 144.9 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | | | trans | -51 | 151.6 | 167.8 | -66.7 | -86.8 | 0 | 0 | 0 | 113.4 | | |
| 336 | P | 45.8 | Very low | 39.2 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | | -129.9 | 139.6 | 122.5 | 35.2 | -25.7 | 0 | 0 | 0 | 114.2 | | |
| 337 | T | 37 | Very low | 38.8 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | | | trans | -51.7 | 155 | 166.5 | -63.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 338 | C | 34.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | | | trans | 91.8 | 121.8 | 159.3 | -89.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 339 | G | 35.3 | Very low | 38.8 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 174.1 | 66.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A341 | G339-A341 PolarHBondContact O-N 3.36Š|
| 340 | I | 40.9 | Very low | 39.1 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -53.3 | 128.2 | 167 | -88.9 | 151.3 | 0 | 0 | 0 | 111.1 | | |
| 341 | A | 37.6 | Very low | 38.8 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -152.6 | 107.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G339 | G339-A341 PolarHBondContact O-N 3.36Š|
| 342 | H | 41.2 | Very low | 39.2 | Very low | 171 Ų | 171 | 141 Ų | 141 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | | | trans | -40.8 | 132.2 | 165.3 | -79.4 | -101.8 | 0 | 0 | 0 | 113.5 | | |
| 343 | R | 42.8 | Very low | 39.2 | Very low | 237 Ų | 237 | 141.6 Ų | 141.6 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | | | trans | -149.5 | 109.8 | 132.6 | -67.4 | -157 | -177 | -79 | -3.8 | 112.4 | | |
| 344 | R | 43 | Very low | 39.5 | Very low | 237 Ų | 237 | 141.6 Ų | 141.6 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | | | trans | 52.6 | 105.8 | 131.9 | -160.3 | 176 | -68.3 | -101.8 | 0.9 | 117.5 | | |
| 345 | G | 34.9 | Very low | 39.6 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | | | trans | -73.4 | 170.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 346 | S | 40.5 | Very low | 40.1 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -152.8 | 118.4 | 141.2 | -77.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 347 | N | 36.3 | Very low | 39.7 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -95.8 | 119.1 | 179.1 | -165.3 | 59 | 0 | 0 | 0 | 106.5 | | |
| 348 | S | 41.6 | Very low | 39.9 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -144.7 | 96.7 | 159.8 | 66.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 349 | N | 36.1 | Very low | 41 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 61% | 0.61 | 81% | 0.808 | S | S | * | * | | | trans | -84.4 | 118.4 | 168.2 | 174 | 91.4 | 0 | 0 | 0 | 107.4 | | |
| 350 | D | 39.1 | Very low | 41.5 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -133 | 118 | 157.2 | -97.8 | -51.2 | 0 | 0 | 0 | 109.4 | | |
| 351 | Q | 41.6 | Very low | 41.8 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -78.2 | 137.4 | 172.1 | -62.7 | 174.9 | 25.6 | 0 | 0 | 108.4 | | |
| 352 | S | 39.9 | Very low | 42.1 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -156.6 | 113.1 | 155.4 | -67.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 353 | S | 42.5 | Very low | 42 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -69.7 | 163.3 | 170.6 | -42.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 354 | D | 41.8 | Very low | 41.9 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | trans | 83.1 | 114 | 149.2 | -132.8 | -1.4 | 0 | 0 | 0 | 117.6 | | |
| 355 | S | 41.5 | Very low | 41.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | | | trans | 176.5 | 103.8 | 138.8 | -78.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 356 | L | 48.4 | Very low | 42.3 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | | | trans | -61.6 | 122.3 | 157.1 | -65.5 | 163.9 | 0 | 0 | 0 | 109.3 | | |
| 357 | S | 38.5 | Very low | 42.4 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | -162 | 96 | 167.8 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 358 | S | 40.3 | Very low | 42.7 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | | | trans | -69.6 | 142.5 | 159.4 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 359 | P | 58.2 | Low | 42.8 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | | | trans | -103.1 | 108.3 | 161.6 | 21 | -4.1 | 0 | 0 | 0 | 110.8 | | |
| 360 | T | 45.2 | Very low | 43.2 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 70% | 0.699 | 83% | 0.833 | S | S | * | * | | | trans | -81.6 | 125.1 | 156 | -56.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 361 | L | 48.1 | Very low | 43.5 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | | | trans | -149.9 | 101.9 | 159.2 | -71.9 | -179.3 | 0 | 0 | 0 | 106.3 | | |
| 362 | L | 43.4 | Very low | 43.7 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | | | | 55.7 | 121.2 | 65.6 | -113.3 | 168.1 | 0 | 0 | 0 | 114.1 | | |
| 363 | A | 37.9 | Very low | 44 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 84% | 0.839 | S | S | * | * | | | trans | -61.6 | 147 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 364 | L | 42.1 | Very low | 44.1 | Very low | 252 Ų | 252 | 141.6 Ų | 141.6 | 100% | 1.319 | 84% | 0.844 | S | S | * | * | | | trans | -147.1 | 0 | 136.7 | -88.4 | 178.7 | 0 | 0 | 0 | 109.1 | | |